SCHEMBL4770829

SCHEMBL4770829

COc1cccc(N(C(=O)C(F)(F)F)c2ccc3c(c2)CCN(C2CCC2)CC3)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.45
KDM2B Q8NHM5 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP2D6 P10635 2/20 0.41
HRH1 P35367 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4767950 0.91 HRH3 (0.48) HRH3KDM2BESR1ESR2CYP2D6
SCHEMBL4770278 0.90 HRH3 (0.60) HRH3CYP2D6HRH1
SCHEMBL4765539 0.85 HRH3 (0.62) HRH3CYP2D6HRH1
SCHEMBL4775429 0.85 KDM2B (0.42) HRH3KDM2BCYP2D6
SCHEMBL4775800 0.84 FKBP1A (0.44) HRH3CYP2D6HRH1
SCHEMBL4774283 0.82 HRH3 (0.43) HRH3KDM2BCYP2D6HRH1
SCHEMBL4771951 0.81 DRD2 (0.41) HRH3KDM2BESR1ESR2CYP2D6
SCHEMBL4770408 0.81 HRH3 (0.43) HRH3KDM2BCYP2D6
SCHEMBL4774148 0.80 HRH3 (0.44) HRH3KDM2BCYP2D6HRH1
SCHEMBL4770320 0.80 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 1/4885KDM2B 369/4885ESR1 2997/4885

“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.