SCHEMBL6491392

SCHEMBL6491392

Clc1ccccc1OCCOc1ccc2c3c1c1c(n3CCC2)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2C P28335 9/20 0.37
HTR2A P28223 6/20 0.37
HTR2B P41595 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LTA4H P09960 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6484576 0.89 TDP1 (0.42) CYP1A2CYP2D6CYP2C19HTR2CHTR2A
SCHEMBL6492865 0.89 HTR2C (0.37) L3MBTL1CYP2D6CYP2C19HTR2CHTR2A
SCHEMBL6486177 0.89 HTR2C (0.41) L3MBTL1CYP1A2CYP2D6CYP2C19HTR2C
SCHEMBL6496852 0.89 KDM4E (0.37) L3MBTL1CYP1A2CYP2D6CYP2C19HTR2C
SCHEMBL6482544 0.87 MCL1 (0.47) CYP1A2CYP2D6CYP2C19HTR2CHTR2A
SCHEMBL6498263 0.87 KDM4E (0.42) L3MBTL1SMN1; SMN2HTTMAPTALDH1A1
SCHEMBL6492809 0.87 HRH3 (0.37) HTR2CHRH3LTA4HMEN1KMT2A
SCHEMBL6486474 0.86 HTR2C (0.36) CYP2D6HTR2CHTR2AHTR2BHRH3
SCHEMBL6481002 0.86 HTR2C (0.39) CYP1A2CYP2D6CYP2C19HTR2CHTR2A
SCHEMBL6499210 0.85 KDM4E (0.41) CYP2D6HTR2CHRH3SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US claimed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US claimed
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US disclosed
US-6875762-B2 Tetracyclic azepinoindole compounds PFIZER (US) 2005-04-05 US disclosed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP disclosed
US-20040138202-A1 Tetracyclic azepinoindole compounds PHARMACIA AND UPJOHN COMPANY 2004-07-15 US disclosed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US disclosed
US-6407092-B1 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS PHARMACIA & UPJOHN COMPANY 2002-06-18 US 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 (3 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-20050282796-A1 Tetracyclic azepinoindole compounds TBXA2R, NPY5R, AZI2 TSHR 185/4885L3MBTL1 4862/4885CYP1A2 4/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 TSHR 334/4885L3MBTL1 4756/4885CYP1A2 3/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 TSHR 334/4885L3MBTL1 4756/4885CYP1A2 3/4885

“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.