SCHEMBL6486177

SCHEMBL6486177

Fc1ccccc1OCCOc1ccc2c3c1c1c(n3CCC2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
HTR2A P28223 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR1A P08908 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MCL1 Q07820 2/20 0.32
BCL2 P10415 1/20 0.32

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
SCHEMBL6491392 0.89 TSHR (0.42) HTR2CMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6492865 0.88 HTR2C (0.37) HTR2CALDH1A1CYP2D6CYP2C19L3MBTL1
SCHEMBL6484179 0.88 HTR2C (0.39) HTR2CMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6484576 0.88 TDP1 (0.42) HTR2CMEN1KMT2AKDM4EALDH1A1
SCHEMBL6496852 0.88 KDM4E (0.37) HTR2CMEN1KMT2AKDM4EALDH1A1
SCHEMBL6486474 0.87 HTR2C (0.36) HTR2CCYP2D6HTR2AHRH3SLC6A2
SCHEMBL6481002 0.87 HTR2C (0.39) HTR2CALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6498263 0.86 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL6482544 0.86 MCL1 (0.47) HTR2CMEN1KMT2AKDM4ECYP1A2
SCHEMBL6485544 0.84 SLC6A2 (0.37) HTR2CHTR2AHRH3HTR1ASLC6A2

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 HTR2C 22/4885MEN1 242/4885KMT2A 2440/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885MEN1 164/4885KMT2A 2669/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885MEN1 164/4885KMT2A 2669/4885

“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.