SCHEMBL484524

SCHEMBL484524

O=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)C4)cc21)c1sccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
CYP3A4 P08684 10/20 0.44
CYP2C9 P11712 9/20 0.44
CYP2D6 P10635 7/20 0.44
TSHR P16473 6/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 4/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 4/20 0.43
USP2 O75604 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 2/20 0.41
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.40
BDKRB1 P46663 1/20 0.40

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
SCHEMBL484232 0.95 CYP3A4 (0.42) ITGB3ITGA2BCYP3A4CYP2C9CYP2D6
SCHEMBL484436 0.95 CYP3A4 (0.48) ITGB3ITGA2BCYP3A4CYP2C9CYP2D6
SCHEMBL484096 0.87 CYP2C9 (0.49) ITGB3ITGA2BCYP3A4CYP2C9CYP2D6
SCHEMBL484782 0.87 BDKRB1 (0.39) CYP3A4CYP2C9CYP2D6TSHRMAPK1
SCHEMBL2817507 0.86 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6TSHRCYP2C19
SCHEMBL2815762 0.86 CYP3A4 (0.41) CYP3A4CYP2C9CYP2D6TSHRMAPK1
SCHEMBL2817913 0.86 CYP2C9 (0.47) ITGB3ITGA2BCYP3A4CYP2C9CYP2D6
SCHEMBL484898 0.86 CYP2C9 (0.45) ITGB3ITGA2BCYP3A4CYP2C9CYP2D6
SCHEMBL484222 0.86 CYP3A4 (0.45) ITGB3ITGA2BCYP3A4CYP2C9CYP2D6
SCHEMBL485087 0.86 CYP2C9 (0.45) ITGB3ITGA2BCYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ITGB3 3292/4885ITGA2B 3190/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ITGB3 3292/4885ITGA2B 3190/4885CYP3A4 3781/4885

“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.