SCHEMBL4769825

SCHEMBL4769825

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1nc2ccccc2n1OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.41
OGFRL1 Q5TC84 10/20 0.40
OPRM1 P35372 9/20 0.40
OPRD1 P41143 9/20 0.40
OPRK1 P41145 8/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH1 P35367 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL4775136 0.81 HRH3 (0.43) HRH3KMT2AHRH1
SCHEMBL4775095 0.81 HRH3 (0.41) HRH3USP2HRH1
Trifluoroacetic Acid SCHEMBL4765701 0.76 MAPT (0.48) HRH3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4765215 0.75 SMN1; SMN2 (0.47) HRH3HRH1
Trifluoroacetic Acid SCHEMBL4775257 0.75 ROCK2 (0.44) HRH3MEN1KMT2A
SCHEMBL4770767 0.75 HRH3 (0.42) HRH3MEN1KMT2AHRH1
Trifluoroacetic Acid SCHEMBL4774309 0.75 ABCB1 (0.50) HRH3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4769820 0.75 ALDH1A1 (0.46) HRH3USP2MEN1KMT2A
SCHEMBL4775260 0.74 HRH3 (0.40) HRH3HRH1
Trifluoroacetic Acid SCHEMBL4772033 0.74 MEN1 (0.44) HRH3MEN1KMT2A

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 1/4885OGFRL1 2530/4885OPRM1 302/4885

“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.