SCHEMBL4772154

SCHEMBL4772154

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccc(I)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NFKB1 P19838 4/20 0.52
NFKB2 Q00653 4/20 0.52
RELA Q04206 4/20 0.52
HTT P42858 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 2/20 0.51
GAA P10253 1/20 0.51
HRH3 Q9Y5N1 3/20 0.47
TMPRSS2 O15393 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.44
LY96 Q9Y6Y9 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43

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
SCHEMBL4765225 0.88 HRH3 (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4767344 0.87 TDP1 (0.58) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4772670 0.87 NPC1 (0.71) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4770046 0.84 RORC (0.60) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4773028 0.84 RAB9A (0.60) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4772145 0.84 MAPK14 (0.53) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4770633 0.83 HRH3 (0.64) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4774628 0.83 TMPRSS2 (0.61) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4764985 0.83 RAB9A (0.64) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4764960 0.82 ROCK2 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 2 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 disclosed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US 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 2307/4885SMN1; SMN2 2487/4885

“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.