SCHEMBL484726

SCHEMBL484726

O=C(Cc1ccccc1Cl)NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.43
ITGB3 P05106 6/20 0.43
ITGA2B P08514 6/20 0.43
CYP2C9 P11712 7/20 0.42
CYP2C19 P33261 7/20 0.42
CYP3A4 P08684 9/20 0.42
TSHR P16473 4/20 0.42
CYP2D6 P10635 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 3/20 0.42
HIF1A Q16665 1/20 0.42
USP2 O75604 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
AR P10275 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
SCHEMBL484210 1.00 BDKRB1 (0.43) BDKRB1ITGB3ITGA2BCYP2C9CYP2C19
SCHEMBL484457 0.95 ITGB3 (0.46) BDKRB1ITGB3ITGA2BCYP2C9CYP2C19
SCHEMBL484353 0.95 BDKRB1 (0.48) BDKRB1ITGB3ITGA2BCYP2C9CYP2C19
SCHEMBL2819728 0.93 BDKRB1 (0.42) BDKRB1ITGB3ITGA2BCYP2C9CYP2C19
SCHEMBL484189 0.91 CYP3A4 (0.46) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL2817517 0.91 DDR1 (0.42) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL2819268 0.88 ITGB3 (0.45) BDKRB1ITGB3ITGA2BCYP2C9CYP2C19
SCHEMBL484392 0.88 BDKRB1 (0.47) BDKRB1ITGB3ITGA2BCYP2C9CYP2C19
SCHEMBL2815777 0.88 BDKRB1 (0.45) BDKRB1ITGB3ITGA2BCYP2C9CYP2C19
SCHEMBL484199 0.88 BDKRB1 (0.45) BDKRB1ITGB3ITGA2BCYP2C9CYP2C19

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 BDKRB1 1/4885ITGB3 3292/4885ITGA2B 3190/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN BDKRB1 1/4885ITGB3 3292/4885ITGA2B 3190/4885

“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.