SCHEMBL4771970

SCHEMBL4771970

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1c(OC(=O)C(F)(F)F)nnn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.40
SLC2A1 P11166 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
NFKB1 P19838 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 2/20 0.37
HRH1 P35367 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
THRB P10828 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL4765302 0.84 AXL (0.42) HRH3SLC2A1SMN1; SMN2NPC1TP53
Trifluoroacetic Acid SCHEMBL4764992 0.82 TP53 (0.51) HRH3SLC2A1SMN1; SMN2TP53HTT
SCHEMBL4765254 0.81 AXL (0.43) HRH3SMN1; SMN2NPC1TP53NFKB1
SCHEMBL4765386 0.80 TP53 (0.55) HRH3SMN1; SMN2NPC1TP53NFKB1
Trifluoroacetic Acid SCHEMBL4771967 0.80 SLC2A1 (0.45) HRH3SLC2A1SMN1; SMN2NPC1TP53
Trifluoroacetic Acid SCHEMBL4772218 0.80 SLC2A1 (0.42) HRH3SLC2A1SMN1; SMN2NPC1TP53
SCHEMBL4770767 0.79 HRH3 (0.42) HRH3SLC2A1KMT2AHRH1MEN1
Trifluoroacetic Acid SCHEMBL4774586 0.78 MAPT (0.51) HRH3SLC2A1SMN1; SMN2NPC1RAB9A
SCHEMBL4771101 0.78 HRH3 (0.44) HRH3SMN1; SMN2NPC1TP53NFKB1
SCHEMBL4765564 0.77 HRH3 (0.46) HRH3SMN1; SMN2NPC1TP53NFKB1

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 1/4885SLC2A1 4665/4885SMN1; 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.