SCHEMBL3103013

SCHEMBL3103013

O=C(O)N1CCc2cccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)c2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.56
CYP2C9 P11712 10/20 0.56
CYP2C19 P33261 7/20 0.56
CYP2D6 P10635 9/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
CYP1A2 P05177 6/20 0.52
TSHR P16473 6/20 0.52
ALDH1A1 P00352 5/20 0.52
HIF1A Q16665 5/20 0.52
USP2 O75604 2/20 0.52
MAPK1 P28482 2/20 0.49
BDKRB1 P46663 1/20 0.48
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL15088283 0.88 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL3102449 0.86 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL3099693 0.85 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL3088775 0.82 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL3099060 0.81 CYP3A4 (0.55) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL3099403 0.79 CHRM1 (0.52) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL3088990 0.78 CYP3A4 (0.63) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL3091181 0.77 BDKRB1 (0.47) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL641121 0.77 CYP2C9 (0.75) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL3102831 0.77 CYP2D6 (0.50) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
EP-2393812-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B CYP3A4 1215/4885CYP2C9 351/4885CYP2C19 645/4885

“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.