SCHEMBL2819031

SCHEMBL2819031

O=C(c1ccc2c(c1)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)CC2)N1CCC2(CCN(c3ccncc3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.46
CYP3A4 P08684 11/20 0.45
CYP2C9 P11712 6/20 0.45
CYP1A2 P05177 5/20 0.45
CYP2D6 P10635 5/20 0.45
TSHR P16473 4/20 0.45
HIF1A Q16665 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 6/20 0.43
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
HSD17B10 Q99714 1/20 0.40
AR P10275 1/20 0.40
USP2 O75604 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 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
SCHEMBL485019 1.00 BDKRB1 (0.46) BDKRB1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL484338 0.95 CYP2C9 (0.47) BDKRB1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2816340 0.95 BDKRB1 (0.51) BDKRB1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL485576 0.94 CYP3A4 (0.43) BDKRB1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2821990 0.93 CYP3A4 (0.42) BDKRB1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL485071 0.92 BDKRB1 (0.45) BDKRB1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL484409 0.92 BDKRB1 (0.43) BDKRB1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2821907 0.92 BDKRB1 (0.43) BDKRB1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL484556 0.90 CYP3A4 (0.49) BDKRB1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL484582 0.88 CYP3A4 (0.42) BDKRB1CYP3A4CYP2C9CYP1A2CYP2D6

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 BDKRB1 1/4885CYP3A4 3781/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN BDKRB1 1/4885CYP3A4 3781/4885CYP2C9 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.