SCHEMBL6498739

SCHEMBL6498739

Brc1cccc(OCCOc2ccc3c4c2c2c(n4CCC3)CCNCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 6/20 0.37
HRH1 P35367 1/20 0.36
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 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
SCHEMBL6499210 0.89 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1HRH3
SCHEMBL6482547 0.89 HRH3 (0.40) KDM4EKMT2AALDH1A1HRH3HRH1
SCHEMBL6495903 0.89 KDM4E (0.41) KDM4EPOLBMEN1KMT2AL3MBTL1
SCHEMBL6485544 0.89 SLC6A2 (0.37) HRH3HRH1HTR2CHTR2A
SCHEMBL6495241 0.88 HRH3 (0.37) KDM4EKMT2AL3MBTL1HRH3HRH1
SCHEMBL6499044 0.88 LTA4H (0.43) KDM4EHRH3HRH1LMNAHTR2C
SCHEMBL6493956 0.86 HRH3 (0.35) HRH3HRH1HTR2CHTR2A
SCHEMBL6483876 0.86 L3MBTL1 (0.42) KDM4EGAAKMT2AL3MBTL1ALDH1A1
SCHEMBL6493001 0.86 HRH3 (0.40) KDM4EHRH3HRH1HTR2CHTR2A
SCHEMBL6496852 0.84 KDM4E (0.37) KDM4EPOLBMEN1KMT2AL3MBTL1

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 1036/4885POLB 4488/4885GAA 1393/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 KDM4E 1620/4885POLB 4530/4885GAA 1336/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 KDM4E 1620/4885POLB 4530/4885GAA 1336/4885

“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.