SCHEMBL6482547

SCHEMBL6482547

COc1cccc(OCCOc2ccc3c4c2c2c(n4CCC3)CCNCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH1 P35367 1/20 0.36
HTR6 P50406 1/20 0.36
ADRB1 P08588 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAOB P27338 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
SCHEMBL6495903 0.91 KDM4E (0.41) HRH3ALDH1A1KDM4EKMT2AMAPK1
SCHEMBL6482671 0.90 HRH3 (0.37) HRH3KDM4EKMT2AMAPK1TSHR
SCHEMBL6499210 0.89 KDM4E (0.41) HRH3ALDH1A1KDM4EKMT2AMAPK1
SCHEMBL6498739 0.89 KDM4E (0.38) HRH3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6485544 0.89 SLC6A2 (0.37) HRH3HRH1MAOB
SCHEMBL6493956 0.88 HRH3 (0.35) HRH3HRH1
SCHEMBL6499044 0.88 LTA4H (0.43) HRH3KDM4EHRH1TMEM97SIGMAR1
SCHEMBL6492865 0.86 HTR2C (0.37) HRH3ALDH1A1SMN1; SMN2HTR6ADRB1
SCHEMBL6483876 0.86 L3MBTL1 (0.42) HRH3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6493001 0.86 HRH3 (0.40) HRH3KDM4EMAPK1HRH1

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 HRH3 512/4885ALDH1A1 542/4885KDM4E 1036/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HRH3 669/4885ALDH1A1 327/4885KDM4E 1620/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HRH3 669/4885ALDH1A1 327/4885KDM4E 1620/4885

“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.