SCHEMBL4767950

SCHEMBL4767950

COc1ccc(N(C(=O)C(F)(F)F)c2ccc3c(c2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CYP2D6 P10635 2/20 0.45
HRH1 P35367 1/20 0.43
KDM2B Q8NHM5 1/20 0.42

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
SCHEMBL4770829 0.91 HRH3 (0.45) HRH3ESR1ESR2CYP2D6HRH1
SCHEMBL4765539 0.88 HRH3 (0.62) HRH3CYP2D6HRH1
SCHEMBL4774283 0.86 HRH3 (0.43) HRH3CYP2D6HRH1KDM2B
SCHEMBL4774148 0.85 HRH3 (0.44) HRH3CYP2D6HRH1KDM2B
SCHEMBL4775800 0.84 FKBP1A (0.44) HRH3CYP2D6HRH1
SCHEMBL4770408 0.83 HRH3 (0.43) HRH3CYP2D6KDM2B
SCHEMBL4770278 0.82 HRH3 (0.60) HRH3CYP2D6HRH1
SCHEMBL4766888 0.82 KCNH2 (0.42) HRH3ESR1ESR2CYP2D6HRH1
SCHEMBL4775429 0.82 KDM2B (0.42) HRH3CYP2D6KDM2B
SCHEMBL4770320 0.79 HRH3 (0.53) HRH3CYP2D6HRH1

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
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US claimed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP 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 (1 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 HRH3 1/4885ESR1 2997/4885ESR2 2278/4885

“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.