SCHEMBL4772663

SCHEMBL4772663

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc2c(OC(=O)C(F)(F)F)c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.42
TRPV1 Q8NER1 1/20 0.41
HTR1D P28221 2/20 0.39
SLC2A1 P11166 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4768276 0.93 HTR1D (0.43) HRH3TRPV1HTR1DSLC2A1HTR1A
Trifluoroacetic Acid SCHEMBL4772660 0.79 ESR1 (0.50) HRH3TRPV1SLC2A1NPC1TP53
SCHEMBL4768483 0.77 ALDH1A1 (0.51) HRH3NPC1TP53NFKB1RAB9A
SCHEMBL4770918 0.76 HRH3 (0.43) HRH3TRPV1SLC2A1NPC1TP53
SCHEMBL4772606 0.76 HRH3 (0.41) HRH3TRPV1HTR1DSLC2A1HTR1A
SCHEMBL4768203 0.76 TRPV4 (0.59) HRH3TRPV1HTR1DSLC2A1HTR1A
Trifluoroacetic Acid SCHEMBL4768268 0.76 SLC2A1 (0.47) HRH3TRPV1SLC2A1NPC1TP53
SCHEMBL4775294 0.76 HRH3 (0.44) HRH3TRPV1SLC2A1NPC1TP53
SCHEMBL4768264 0.76 HRH3 (0.50) HRH3NPC1TP53NFKB1RAB9A
Trifluoroacetic Acid SCHEMBL4774281 0.75 SLC2A1 (0.58) HRH3TRPV1HTR1DSLC2A1HTR1A

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 HRH3 1/4885TRPV1 125/4885HTR1D 54/4885

“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.