SCHEMBL4770046

SCHEMBL4770046

N#Cc1cccc(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.60
ROCK2 O75116 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4767142 0.89 DPP4 (0.53) RORCROCK2L3MBTL1NPC1NFKB1
SCHEMBL4770984 0.88 RORC (0.54) RORCROCK2NPC1RAB9AKMT2A
SCHEMBL4767859 0.85 RORC (0.47) RORCROCK2RAB9ASMN1; SMN2
SCHEMBL4772670 0.84 NPC1 (0.71) RORCNPC1NFKB1HTTRAB9A
SCHEMBL4767344 0.84 TDP1 (0.58) L3MBTL1NPC1NFKB1HTTRAB9A
SCHEMBL4772154 0.84 NPC1 (0.52) RORCL3MBTL1NPC1NFKB1HTT
SCHEMBL4773028 0.84 RAB9A (0.60) NPC1NFKB1RAB9ANFKB2KMT2A
SCHEMBL4770633 0.83 HRH3 (0.64) NPC1NFKB1HTTRAB9ANFKB2
SCHEMBL4775935 0.82 EPHX1 (0.48) ROCK2NPC1HTTRAB9AKMT2A
SCHEMBL4772145 0.82 MAPK14 (0.53) NPC1NFKB1HTTRAB9ANFKB2

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 RORC 1661/4885ROCK2 3702/4885L3MBTL1 1581/4885

“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.