Sugi Predict

Sugi Predict / Compounds / SCHEMBL5375782

SCHEMBL5375782

SCHEMBL5375782

O=C(C1CCCCC1)C(CCN1CCN(c2ccccn2)CC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.60
▸ ALDH1A1 P00352 5/20 0.53
▸ KDM4E B2RXH2 3/20 0.50
▸ GRM1 Q13255 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ADRB2 P07550 1/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ HTR7 P34969 2/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ DRD3 P35462 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Oxalic Acid SCHEMBL5375120 0.98 HTR1A (0.58) HTR1AALDH1A1KDM4EGRM1NPSR1
SCHEMBL14363070 0.83 CCR5 (0.48) HTR1AALDH1A1KDM4EDRD2HTR2B
SCHEMBL7453757 0.82 HTR1A (0.58) HTR1AALDH1A1KDM4EADRB2DRD2
SCHEMBL5371883 0.78 HTR1A (0.60) HTR1AALDH1A1NPSR1DRD2HTR7
SCHEMBL5389828 0.78 HTR1A (0.73) HTR1AALDH1A1KDM4EHSD17B10DRD2
SCHEMBL5372555 0.78 HTR1A (0.73) HTR1AALDH1A1KDM4EHSD17B10DRD2
Hydrochloric Acid SCHEMBL5376989 0.77 HTR1A (0.59) HTR1ANPSR1DRD2HTR7DRD4
Hydrochloric Acid SCHEMBL6435975 0.77 HTR1A (0.59) HTR1ANPSR1DRD2HTR7DRD4
Hydrochloric Acid SCHEMBL6435545 0.77 HTR1A (0.72) HTR1AALDH1A1KDM4EHSD17B10DRD2
Hydrochloric Acid SCHEMBL5391694 0.77 HTR1A (0.72) HTR1AALDH1A1KDM4EHSD17B10DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924205-B1 Arylpiperazines having activity at the serotonin 1a receptor LILLY CO ELI (US) 2005-05-25 — — EP claimed
US-20030008879-A1 For therapy of symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine; for therapy of anxiety KOHLMAN DANIEL TIMOTHY (US) 2003-01-09 — — US claimed
US-20010003749-A1 Mono or bicyclic aryl or heteraryl substituted piperizin derivatives useful for treating anxiety, depression, hypertension, cognitive disorder, psychosis, sleep disorder, brain trauma, memory loss, drug abuse, migraine and obesity GODFREY ALEXANDER GLENN (US) 2001-06-14 — — US claimed
WO-1999031077-A1 ARYLPIPERAZINES HAVING ACTIVITY AT THE SEROTONIN 1A RECEPTOR ELI LILLY AND COMPANY (US) 1999-06-24 — — WO claimed
EP-0924205-A1 Arylpiperazines having activity at the serotonin 1a receptor ELI LILLY AND COMPANY (US) 1999-06-23 — — EP claimed
US-7309702-B2 4-(3-Phenyl-3-carbocycloylpropyl)-1-phenyl- or pyridylpiperazine derivatives: 1-(2-methoxyphenyl)-4-[3-(benzoyl)-3-(phenyl)propyl]piperazine oxalate; serotonin receptor antagonists; Alzheimer's disease AVERA PHARMACEUTICALS, INC. (US) 2007-12-18 — — US disclosed
US-7309702-B2 4-(3-Phenyl-3-carbocycloylpropyl)-1-phenyl- or pyridylpiperazine derivatives: 1-(2-methoxyphenyl)-4-[3-(benzoyl)-3-(phenyl)propyl]piperazine oxalate; serotonin receptor antagonists; Alzheimer's disease AVERA PHARMACEUTICALS, INC. (US) 2007-12-18 — — US disclosed
US-7309702-B2 4-(3-Phenyl-3-carbocycloylpropyl)-1-phenyl- or pyridylpiperazine derivatives: 1-(2-methoxyphenyl)-4-[3-(benzoyl)-3-(phenyl)propyl]piperazine oxalate; serotonin receptor antagonists; Alzheimer's disease AVERA PHARMACEUTICALS, INC. (US) 2007-12-18 — — US disclosed
US-7001908-B2 Arylpiperazines having activity at the serotonin 1A receptor AVERA PHARMACEUTICALS, INC. (US) 2006-02-21 — — US disclosed
US-20060009464-A1 Arylpiperazines having activity at the serotonin 1A receptor ELI LILLY AND COMPANY 2006-01-12 — — US disclosed
US-20050282817-A1 4-(3-Phenyl-3-carbocycloylpropyl)-1-phenyl- or pyridylpiperazine derivatives: 1-(2-methoxyphenyl)-4-[3-(benzoyl)-3-(phenyl)propyl]piperazine oxalate; serotonin receptor antagonists; obesity NOKIA CORPORATION (FI) 2005-12-22 — — US disclosed
US-6946579-B2 Arylpiperazines having activity at the serotonin 1A receptor ELI LILLY AND COMPANY (US) 2005-09-20 — — US disclosed
US-6514976-B2 For therapy of symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine; for therapy of anxiety ELI LILLY AND COMPANY 2003-02-04 — — US disclosed
US-20030008879-A1 For therapy of symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine; for therapy of anxiety KOHLMAN DANIEL TIMOTHY (US) 2003-01-09 — — US disclosed
US-20020169170-A1 Administering to a patient a serotonin reuptake inhibitor in combination with an effective amount of arylpiperazines having activity at the serotonin 1A receptor GODFREY ALEXANDER GLENN (US) 2002-11-14 — — US disclosed
US-6358958-B2 MONO OR BICYCLIC ARYL OR HETERARYL SUBSTITUTED PIPERIZIN DERIVATIVES USEFUL FOR TREATING ANXIETY, DEPRESSION, HYPERTENSION, COGNITIVE DISORDER, PSYCHOSIS, SLEEP DISORDER, BRAIN TRAUMA, MEMORY LOSS, DRUG ABUSE, MIGRAINE AND OBESITY ELI LILLY AND COMPANY 2002-03-19 — — US disclosed
US-20010003749-A1 Mono or bicyclic aryl or heteraryl substituted piperizin derivatives useful for treating anxiety, depression, hypertension, cognitive disorder, psychosis, sleep disorder, brain trauma, memory loss, drug abuse, migraine and obesity GODFREY ALEXANDER GLENN (US) 2001-06-14 — — US disclosed
US-6239135-B1 ALLEVIATING THE SYMPTOMS OF NICOTINE AND TOBACCO WITHDRAWAL. ELI LILLY AND COMPANY 2001-05-29 — — US disclosed
WO-1999031077-A1 ARYLPIPERAZINES HAVING ACTIVITY AT THE SEROTONIN 1A RECEPTOR ELI LILLY AND COMPANY (US) 1999-06-24 — — WO disclosed
EP-0924205-A1 Arylpiperazines having activity at the serotonin 1a receptor ELI LILLY AND COMPANY (US) 1999-06-23 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060009464-A1 Arylpiperazines having activity at the serotonin 1A receptor HTR1A, HTR2A, HTR3A HTR1A 1/4885ALDH1A1 630/4885KDM4E 2084/4885
US-20010003749-A1 Mono or bicyclic aryl or heteraryl substituted piperizin derivatives useful for treating anxiety, depression, hypertension, cognitive disorder, psychosis, sleep disorder, brain trauma, memory loss, drug abuse, migraine and obesity HTR1A, HTR2C, HTR3B HTR1A 1/4885ALDH1A1 3214/4885KDM4E 1182/4885
US-20020169170-A1 Administering to a patient a serotonin reuptake inhibitor in combination with an effective amount of arylpiperazines having activity at the serotonin 1A receptor HTR3C, TPH1, HTR6 HTR1A 6/4885ALDH1A1 684/4885KDM4E 4528/4885
US-20030008879-A1 For therapy of symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine; for therapy of anxiety HTR1A, HTR1B, HTR3A HTR1A 1/4885ALDH1A1 488/4885KDM4E 2269/4885
US-20050282817-A1 4-(3-Phenyl-3-carbocycloylpropyl)-1-phenyl- or pyridylpiperazine derivatives: 1-(2-methoxyphenyl)-4-[3-(benzoyl)-3-(phenyl)propyl]piperazine oxalate; serotonin receptor antagonists; obesity HTR3A, HTR3C, HTR1A HTR1A 3/4885ALDH1A1 1840/4885KDM4E 1200/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.