SCHEMBL4716503

SCHEMBL4716503

O=C(c1cccc(-c2nc3c(Cl)cccc3s2)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.57
CYP1A2 P05177 10/20 0.57
CYP2C9 P11712 9/20 0.57
CYP2D6 P10635 9/20 0.57
HIF1A Q16665 5/20 0.57
TSHR P16473 5/20 0.57
ALDH1A1 P00352 4/20 0.57
BDKRB1 P46663 1/20 0.55
USP2 O75604 7/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
CYP2C19 P33261 9/20 0.52
MAPK1 P28482 2/20 0.52
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL4759102 0.77 BDKRB1 (0.49) BDKRB1
SCHEMBL14587787 0.73 LMNA (0.49) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL1712902 0.71 BDKRB1 (1.00) CYP3A4CYP1A2CYP2C9CYP2D6HIF1A
SCHEMBL4714849 0.70 CYP2C9 (0.43) CYP3A4CYP1A2CYP2C9CYP2D6HIF1A
SCHEMBL14587821 0.70 BDKRB1 (0.65) CYP3A4CYP1A2CYP2C9CYP2D6HIF1A
SCHEMBL4716167 0.69 DRD2 (0.46) CYP3A4CYP2C9CYP2D6
SCHEMBL4712012 0.69 CYP3A4 (0.56) CYP3A4CYP1A2CYP2C9CYP2D6HIF1A
SCHEMBL13151431 0.68 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C9CYP2D6HIF1A
SCHEMBL3096509 0.67 CYP3A4 (0.57) CYP3A4CYP1A2CYP2C9CYP2D6HIF1A
SCHEMBL25314225 0.67 FASN (0.48) TSHRALDH1A1SMN1; SMN2MAPK1KMT2A

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 6 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 claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
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
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO 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 CYP3A4 3178/4885CYP1A2 2890/4885CYP2C9 3256/4885

“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.