SCHEMBL2897997

SCHEMBL2897997

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CCN2CCCC2)CC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
F2 P00734 5/20 0.44
F10 P00742 2/20 0.44
PLG P00747 2/20 0.44
PLAU P00749 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
ACE P12821 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CCR2 P41597 2/20 0.40
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL2903664 1.00 CHRM4 (0.44) CHRM4F2F10PLGPLAU
SCHEMBL2898000 1.00 CHRM4 (0.44) CHRM4F2F10PLGPLAU
SCHEMBL3760950 0.91 F2 (0.46) CHRM4F2F10PLGPLAU
SCHEMBL2919067 0.91 F2 (0.46) CHRM4F2F10PLGPLAU
SCHEMBL2903708 0.90 ITGB3 (0.46) CHRM4F2F10PLGPLAU
SCHEMBL2903709 0.90 ITGB3 (0.46) CHRM4F2F10PLGPLAU
SCHEMBL3751375 0.90 CCR2 (0.42) CHRM4F2F10PLGPLAU
SCHEMBL2905205 0.90 CCR2 (0.42) CHRM4F2F10PLGPLAU
SCHEMBL2905209 0.90 CCR2 (0.42) CHRM4F2F10PLGPLAU
SCHEMBL2903784 0.89 CALCRL (0.48) F10MEN1ALDH1A1KMT2AITGB3

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
US-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 US claimed
EP-2215055-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS Richter Gedeon Nyrt. (HU) 2010-08-11 EP claimed
WO-2009053763-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ BL ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2009-04-30 WO claimed
US-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, NPBWR1 CHRM4 879/4885F2 66/4885F10 319/4885

“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.