SCHEMBL4772782

SCHEMBL4772782

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 9/20 0.54
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
P2RY1 P47900 4/20 0.46
HRH3 Q9Y5N1 2/20 0.45
IDH1 O75874 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
EPHX2 P34913 2/20 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
SCHEMBL4774316 0.87 NPC1 (0.72) NPC1RAB9ACASP3SENP7SENP8
SCHEMBL4768190 0.81 NPC1 (0.67) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL4768074 0.75 CA1 (0.54) NPC1RAB9ACASP3SENP7SENP8
SCHEMBL4775079 0.75 MEN1 (0.52) NPC1RAB9ACASP3SENP7SENP8
SCHEMBL4766844 0.75 KMT2A (0.58) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL4774290 0.75 HRH3 (0.50) NPC1RAB9AMEN1KMT2AHRH3
Trifluoroacetic Acid SCHEMBL4770456 0.75 NPC1 (0.52) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL4771957 0.75 BTK (0.48) NPC1RAB9ACASP3SENP7SENP8
Trifluoroacetic Acid SCHEMBL4770314 0.74 HRH3 (0.52) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL4772451 0.74 TP53 (0.53) NPC1RAB9AMEN1KMT2A

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 NPC1 2009/4885RAB9A 2307/4885CASP3 2205/4885

“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.