SCHEMBL6502851

SCHEMBL6502851

CC1CC(=O)c2cc(F)cc3c4c(n1c23)CCNCC4

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR6 P50406 2/20 0.33
MCHR1 Q99705 3/20 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 SCHEMBL6485167 0.94 KDM4E (0.33) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL6501128 0.81 HTR2C (0.47) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL7036278 0.79 HTR6 (0.35) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL6500384 0.76 HTR2C (0.34) HTR2AHTR2CKDM4EALOX15MAPK1
Oxalic Acid SCHEMBL6496099 0.76 HTR2C (0.42) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL6498458 0.75 HTR2C (0.40) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL7033472 0.72 RORC (0.31) HTR2AHTR2CHSD17B10
SCHEMBL7033469 0.72 HTR6 (0.33) HTR2AHTR2CKDM4EALOX15MAPK1
SCHEMBL6485270 0.71 HTR6 (0.34) HTR2AHTR2CKDM4EALOX15MAPK1
Fumaric Acid SCHEMBL6495804 0.68 HTR2C (0.35) HTR2AHTR2CHTR6MCHR1

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 3 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

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 HTR2A 34/4885HTR2C 22/4885KDM4E 1036/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2A 43/4885HTR2C 24/4885KDM4E 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.