SCHEMBL6609808

SCHEMBL6609808

c1ccc(CC2COC(N3CCNCC3)CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
GBA1 P04062 1/20 0.41
SLC6A4 P31645 7/20 0.40
SLC6A2 P23975 6/20 0.40
SLC6A3 Q01959 5/20 0.40
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
GRM2 Q14416 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 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
Hydrochloric Acid SCHEMBL9466555 0.99 SIGMAR1 (0.41) SIGMAR1GBA1SLC6A4SLC6A2SLC6A3
SCHEMBL8691572 0.83 GRM2 (0.35) SIGMAR1SLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL6739578 0.80 SIGMAR1 (0.41) SIGMAR1GBA1SLC6A4SLC6A2SLC6A3
SCHEMBL2688223 0.80 GRIN2B (0.55) SIGMAR1KMT2AGRM2
SCHEMBL8303444 0.78 SIGMAR1 (0.55) SIGMAR1KMT2A
SCHEMBL9179397 0.76 SIGMAR1 (0.55) SIGMAR1
SCHEMBL873444 0.76 SLC6A2 (0.50) GBA1SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL2186411 0.76 SLC6A2 (0.50) GBA1SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL51254 0.76 SLC6A2 (0.50) GBA1SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL8759775 0.75 GRM2 (0.32) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149087-B1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-04-07 EP disclosed
US-6596722-B2 Serotonin reuptake inhibitors/HT3 receptor antagonists useful for treatment of depression, psychosis, anxiety disorders, panic disorder, obsessive compulsive disorder, and eating disorders H. LUNDBECK A/S (DK) 2003-07-22 US disclosed
US-20020173512-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use H. LUNDBECK A/S 2002-11-21 US disclosed
US-20020035113-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-03-21 US disclosed
EP-1149087-A1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2001-10-31 EP disclosed
WO-2000043382-A1 PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-07-27 WO disclosed
EP-0574313-B1 1,4-Disubstituted piperazines for the treatment of disorders of the central nervous system and neuro-endocrine disorders ADIR (FR) 1999-10-06 EP disclosed
US-5789412-A 5-HYDROXYTRYPTAMINE (SEROTONIN) RECEPTOR ANTAGONISTS FOR THE CURATIVE OR PREVENTIVE TREATMENT OF PAIN, DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS, ANXIETY OR PANIC ATTACK, OR CANCER PIERRE FABRE MEDICAMENT (FR) 1998-08-04 US disclosed
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 WO disclosed
US-5464834-A Antidepressants, central nervous system ADIR ET COMPAGNIE (FR) 1995-11-07 US disclosed
EP-0490772-B1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR (FR) 1995-07-26 EP disclosed
EP-0574313-A1 1,4-Disubstituted piperazines for the treatment of disorders of the central nervous system and neuro-endocrine disorders ADIR ET COMPAGNIE (FR) 1993-12-15 EP disclosed
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed
EP-0490772-A1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-06-17 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 (2 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-20020035113-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use DRD1, DRD2, H1-5 SIGMAR1 397/4885GBA1 2423/4885SLC6A4 635/4885
US-20020173512-A1 Piperidine, tetrahydropyridine and piperazine derivatives, their preparation and use DRD1, DRD2, H1-5 SIGMAR1 397/4885GBA1 2423/4885SLC6A4 635/4885

“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.