SCHEMBL2817512

SCHEMBL2817512

O=C(c1cccc2c1CC[C@H]2NS(=O)(=O)c1ccccc1Cl)N1CCC2(CCN(c3ccncc3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.42
ITGA2B P08514 10/20 0.42
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 2/20 0.39
HIF1A Q16665 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 4/20 0.39
CHRM1 P11229 2/20 0.38
USP2 O75604 1/20 0.38
BDKRB1 P46663 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL2818144 1.00 ITGB3 (0.42) ITGB3ITGA2BCYP2C9CYP2C19TSHR
SCHEMBL2817123 0.95 CYP2C9 (0.44) ITGB3ITGA2BCYP2C9CYP2C19TSHR
SCHEMBL2818774 0.86 ITGB3 (0.44) ITGB3ITGA2BCYP2C9CYP2C19TSHR
SCHEMBL2817752 0.86 ITGB3 (0.44) ITGB3ITGA2BCYP2C9CYP2C19TSHR
SCHEMBL2815654 0.85 BDKRB1 (0.45) ITGB3ITGA2BCYP2C9CYP2C19TSHR
SCHEMBL2821907 0.84 BDKRB1 (0.43) ITGB3ITGA2BCYP2C9CYP2C19TSHR
SCHEMBL484409 0.84 BDKRB1 (0.43) ITGB3ITGA2BCYP2C9CYP2C19TSHR
SCHEMBL2819935 0.81 BDKRB1 (0.42) ITGB3ITGA2BCYP2C9CYP2C19TSHR
SCHEMBL2815693 0.81 CYP2C9 (0.47) ITGB3ITGA2BCYP2C9CYP2C19TSHR
SCHEMBL2821908 0.81 CYP2C9 (0.47) ITGB3ITGA2BCYP2C9CYP2C19TSHR

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 12 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (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 3190/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ITGB3 3292/4885ITGA2B 3190/4885CYP2C9 2259/4885

“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.