SCHEMBL4767935

SCHEMBL4767935

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccc(-c2cnccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
NPC1 O15118 3/20 0.49
HTT P42858 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
ROCK2 O75116 9/20 0.49
HRH3 Q9Y5N1 5/20 0.48
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
KMT2A Q03164 1/20 0.45
CREBBP Q92793 2/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL4768232 0.92 RAB9A (0.50) NPC1HTTRAB9ASMN1; SMN2TP53
SCHEMBL4765227 0.88 ROCK2 (0.47) NPC1HTTRAB9ASMN1; SMN2TP53
SCHEMBL4765298 0.88 NPC1 (0.55) NPC1HTTRAB9ASMN1; SMN2TP53
SCHEMBL4764960 0.87 ROCK2 (0.50) ABL1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL4767429 0.85 RAB9A (0.55) NPC1HTTRAB9ASMN1; SMN2TP53
SCHEMBL4768415 0.84 HRH3 (0.49) NPC1HTTRAB9ASMN1; SMN2TP53
SCHEMBL4772436 0.84 HRH3 (0.52) ABL1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL4770989 0.83 SMN1; SMN2 (0.71) NPC1HTTRAB9ASMN1; SMN2TP53
SCHEMBL4771974 0.83 CREBBP (0.58) NPC1HTTRAB9ASMN1; SMN2TP53
SCHEMBL4768282 0.81 CREBBP (0.58) NPC1HTTRAB9ASMN1; SMN2TP53

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 ABL1 970/4885NPC1 2009/4885HTT 179/4885

“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.