SCHEMBL14587783

SCHEMBL14587783

CC1(C)OB(c2cccc(N3Cc4cccc(Cl)c4C3=O)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
GRM1 Q13255 4/20 0.42
PARP1 P09874 4/20 0.41
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
ROCK1 Q13464 1/20 0.37
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
KMT2A Q03164 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
SCHEMBL17699815 0.72 LIPG (0.39) ROCK1LPLLIPGBACE1
SCHEMBL29782516 0.72 LIPG (0.39) ROCK1LPLLIPGBACE1
SCHEMBL29782640 0.71 BTK (0.38) ROCK1LPLLIPGBACE1
SCHEMBL15286209 0.71 NPC1 (0.51) NPC1TP53RAB9ASMN1; SMN2GAA
SCHEMBL17699529 0.71 BTK (0.38) ROCK1LPLLIPGBACE1
SCHEMBL19358369 0.71 HSD11B1 (0.39) HTR2AHTR2BROCK1LPLLIPG
SCHEMBL4716148 0.71 BDKRB1 (0.57) BDKRB1HTR2AHTR2CHTR2BGRM1
SCHEMBL19358011 0.71 LPL (0.39) HTR2AHTR2CHTR2BLPLLIPG
SCHEMBL1636075 0.71 ALDH1A1 (0.50) NPC1TSHRRAB9ASMN1; SMN2GAA
SCHEMBL31334004 0.71 LIPG (0.37) ROCK1LPLLIPGBACE1

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
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 BDKRB1 1/4885HTR2A 742/4885HTR2C 1740/4885

“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.