SCHEMBL4772389

SCHEMBL4772389

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc(N2CCCS2(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SLC2A1 P11166 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
LY96 Q9Y6Y9 1/20 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
SCHEMBL4768372 0.90 HRH3 (0.48) HRH3NPC1RAB9ANFKB1NFKB2
SCHEMBL4776860 0.90 TP53 (0.50) HRH3NPC1RAB9ANFKB1NFKB2
SCHEMBL4768203 0.81 TRPV4 (0.59) HRH3NPC1RAB9ANFKB1NFKB2
SCHEMBL4765225 0.81 HRH3 (0.55) HRH3NPC1RAB9ANFKB1NFKB2
SCHEMBL4765905 0.81 NPC1 (0.69) HRH3NPC1RAB9ANFKB1NFKB2
SCHEMBL4768058 0.81 NPC1 (0.69) HRH3NPC1RAB9ANFKB1NFKB2
SCHEMBL4767978 0.81 ATM (0.56) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4765740 0.80 TP53 (0.62) HRH3NPC1RAB9ANFKB1NFKB2
SCHEMBL4768623 0.79 RAB9A (0.58) HRH3NPC1RAB9ANFKB1NFKB2
SCHEMBL4772594 0.79 HRH3 (0.50) HRH3NPC1RAB9ANFKB1NFKB2

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 4 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
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 HRH3 1/4885NPC1 2009/4885RAB9A 2307/4885

“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.