SCHEMBL4772144

SCHEMBL4772144

COc1ccc(-c2c(C(=O)Nc3ccc4c(c3)CCN(C3CCC3)CC4)c(C)nn2OC(=O)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH1 P35367 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TMPRSS2 O15393 1/20 0.37
MCHR1 Q99705 2/20 0.37
CYP2D6 P10635 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL4772137 0.80 HRH3 (0.44) HRH3MEN1KMT2AHRH1NPC1
SCHEMBL4775555 0.78 HRH3 (0.49) HRH3MEN1KMT2AHRH1NPC1
Trifluoroacetic Acid SCHEMBL4767946 0.77 HRH3 (0.56) HRH3KMT2ANPC1POLBRAB9A
SCHEMBL4771074 0.76 HRH3 (0.64) HRH3KMT2ANPC1POLBRAB9A
Trifluoroacetic Acid SCHEMBL4766836 0.75 SLC2A1 (0.44) HRH3HRH1NPC1POLBRAB9A
SCHEMBL4775095 0.75 HRH3 (0.41) HRH3HRH1NPC1RAB9ACYP2D6
SCHEMBL4765424 0.73 HRH3 (0.47) HRH3MEN1KMT2AHRH1NPC1
Trifluoroacetic Acid SCHEMBL4774586 0.73 MAPT (0.51) HRH3KMT2ANPC1POLBRAB9A
Trifluoroacetic Acid SCHEMBL4767622 0.73 HRH3 (0.51) HRH3NPC1RAB9ATMPRSS2
Trifluoroacetic Acid SCHEMBL4768043 0.73 NPC1 (0.54) HRH3HRH1NPC1RAB9A

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 1/4885MEN1 2213/4885KMT2A 99/4885

“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.