SCHEMBL6854340

SCHEMBL6854340

O=C(C1CCCC1)C(CC1OCCO1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
GRM5 P41594 2/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL6856386 0.99 SMN1; SMN2 (0.39) POLBMAPTCYP3A4SMN1; SMN2LMNA
SCHEMBL6856796 0.99 SMN1; SMN2 (0.39) POLBMAPTCYP3A4SMN1; SMN2LMNA
SCHEMBL6856146 0.82 CYP3A4 (0.37) POLBMAPTCYP3A4SMN1; SMN2LMNA
SCHEMBL6856654 0.79 CYP3A4 (0.39) CYP3A4SMN1; SMN2LMNACYP2C19PKM
SCHEMBL5370048 0.79 LMNA (0.43) CYP3A4LMNACYP2C19PKMKDM4E
SCHEMBL6856741 0.78 SMN1; SMN2 (0.41) CYP3A4SMN1; SMN2LMNACYP2C19PKM
SCHEMBL6856652 0.78 SMN1; SMN2 (0.41) CYP3A4SMN1; SMN2LMNACYP2C19PKM
SCHEMBL28813252 0.71 ALDH1A1 (0.46) SMN1; SMN2CYP2C19ALDH1A1RAB9ANPC1
SCHEMBL23356707 0.71 GSK3B (0.40) CYP3A4SMN1; SMN2LMNAPKMALDH1A1
SCHEMBL30693376 0.71 GSK3B (0.40) CYP3A4SMN1; SMN2LMNAPKMALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828332-B1 Antagonists and partial agonists of the serotonin receptor, and activity as inhibitors of serotonin reuptake for treatment of depression ELI LILLY AND COMPANY 2004-12-07 US disclosed
US-6664274-B1 4-(4-benzothiophene- or 4-benzofuran-1,2,3,6-tetrahydro-pyridyl)- derivatives; 5-HT1A and 5-HT2A receptor antagonists; tobacco or nicotine withdrawal ELI LILLY AND COMPANY 2003-12-16 US disclosed
US-20020193590-A1 Azepine derivatives having effects on serotonin related systems HAUSER KENNETH LEE (US) 2002-12-19 US disclosed
EP-1091741-A4 AZEPINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS LILLY CO ELI (US) 2002-12-18 EP disclosed
EP-1100501-A4 PYRROLIDINE AND PYRROLINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS LILLY CO ELI (US) 2002-12-04 EP disclosed
US-6465453-B1 INHIBITING REUPTAKE OF SEROTONIN; ANTAGONIZING 5-HT-1A AND 2A RECEPTORS; TOBACCO OR NICOTINE WITHDRAWAL, ANXIETY, SLEEP DISORDERS, DEPRESSION, HYPERTENSION, COGNITIVE DISORDERS, PSYCHOSIS, GASTRIC MOTILITY DISORDERS, BRAIN TRAUMA ELI LILLY AND COMPANY 2002-10-15 US disclosed
EP-0982304-B1 Piperidine derivatives having effects on serotonin related systems LILLY CO ELI (US) 2002-10-02 EP disclosed
US-6436964-B1 HETEROCYCLIC AMINES, USED AS SERETONIN REUPTAKE INHIBITORS AND RECEPTOR ANTAGONISTS, ANTIDEPRESSANTS ELI LILLY AND COMPANY 2002-08-20 US disclosed
EP-1220853-A1 PIPERIDINE DERIVATIVES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2002-07-10 EP disclosed
US-6353008-B1 SEROTONIN REUPTAKE INHIBITOR AS ANTIDEPRESSANTS ELI LILLY AND COMPANY 2002-03-05 US disclosed
EP-1146045-A1 Piperidine derivatives having effects on serotonin related systems ELI LILLY AND COMPANY (US) 2001-10-17 EP disclosed
EP-1100501-A1 PYRROLIDINE AND PYRROLINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS ELI LILLY AND COMPANY (US) 2001-05-23 EP disclosed
EP-1091741-A1 AZEPINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS ELI LILLY AND COMPANY (US) 2001-04-18 EP disclosed
WO-2001023380-A1 PIPERIDINE DERIVATIVES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2001-04-05 WO disclosed
WO-2001023381-A1 PIPERIDINE DERIVATIVES AS REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2001-04-05 WO disclosed
EP-0982304-A1 Piperidine derivatives having effects on serotonin related systems ELI LILLY AND COMPANY (US) 2000-03-01 EP disclosed
WO-2000000203-A1 AZEPINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed
WO-2000000198-A1 PIPERIDINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed
WO-2000000196-A1 PYRROLIDINE AND PYRROLINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS ELI LILLY AND COMPANY (US) 2000-01-06 WO 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 (1 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-20020193590-A1 Azepine derivatives having effects on serotonin related systems HTR2A, HTR1A, HTR5A POLB 4828/4885MAPT 3881/4885CYP3A4 314/4885

“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.