SCHEMBL6496852

SCHEMBL6496852

Brc1ccccc1OCCOc1ccc2c3c1c1c(n3CCC2)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.36
HTR2C P28335 6/20 0.36
POLB P06746 2/20 0.36
HTR2A P28223 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.33
MCL1 Q07820 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCL2 P10415 1/20 0.32
HTR2B P41595 1/20 0.32
HTR7 P34969 1/20 0.32
MAPT P10636 3/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31

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) ALDH1A1HTR2CHTR2AHRH3KMT2A
SCHEMBL6484576 0.88 TDP1 (0.42) KDM4EALDH1A1HTR2CPOLBHTR2A
SCHEMBL6486177 0.88 HTR2C (0.41) KDM4EALDH1A1HTR2CHTR2AHRH3
SCHEMBL6492865 0.88 HTR2C (0.37) ALDH1A1HTR2CHTR2AHRH3LMNA
SCHEMBL6498263 0.86 KDM4E (0.42) KDM4EALDH1A1POLBKMT2ATDP1
SCHEMBL6482544 0.86 MCL1 (0.47) KDM4EHTR2CHTR2AHRH3KMT2A
SCHEMBL6495241 0.86 HRH3 (0.37) KDM4EHTR2CHTR2AHRH3KMT2A
SCHEMBL6481002 0.85 HTR2C (0.39) ALDH1A1HTR2CHTR2AHRH3MCL1
SCHEMBL6486474 0.85 HTR2C (0.36) HTR2CHTR2AHRH3MCL1BCL2
SCHEMBL6498739 0.84 KDM4E (0.38) KDM4EALDH1A1HTR2CPOLBHTR2A

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 KDM4E 1036/4885ALDH1A1 542/4885HTR2C 22/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 KDM4E 1620/4885ALDH1A1 327/4885HTR2C 24/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 KDM4E 1620/4885ALDH1A1 327/4885HTR2C 24/4885

“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.