SCHEMBL6507807

SCHEMBL6507807

O=C1CCn2c3c(c4cc(Cl)cc1c42)CCNCC3

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.48
HTR2A P28223 7/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR6 P50406 4/20 0.36
MCHR1 Q99705 5/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
ADRB1 P08588 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
Oxalic Acid SCHEMBL6496558 0.94 HTR2C (0.44) HTR2CHTR2AMEN1KMT2AL3MBTL1
SCHEMBL6498458 0.85 HTR2C (0.40) HTR2CHTR2AHTR6MCHR1KDM4E
SCHEMBL6508008 0.80 HTR2C (0.63) HTR2CHTR2AMEN1KMT2AHTR6
SCHEMBL6507779 0.80 HTR2C (0.58) HTR2CHTR2AMEN1KMT2AHTR6
Fumaric Acid SCHEMBL6495804 0.78 HTR2C (0.35) HTR2CHTR2AHTR6MCHR1
Maleic Acid SCHEMBL6495798 0.78 HTR2C (0.35) HTR2CHTR2AHTR6MCHR1
Oxalic Acid SCHEMBL6492860 0.74 HTR2C (0.52) HTR2CHTR2AMEN1KMT2AHTR6
SCHEMBL6498327 0.74 PTGDR2 (0.45) MEN1KMT2ACHRM2CHRM3
SCHEMBL6850266 0.74 HTR2C (0.65) HTR2CHTR2AMEN1KMT2AHTR6
Maleic Acid SCHEMBL6485443 0.74 HTR2C (0.52) HTR2CHTR2AMEN1KMT2AHTR6

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 6 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
JP-2002543080-A 2002-12-17 JP claimed
EP-1173440-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-01-23 EP claimed
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 22/4885HTR2A 34/4885MEN1 242/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885MEN1 164/4885

“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.