SCHEMBL2817752

SCHEMBL2817752

O=C(N[C@@H]1CCc2c(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cccc21)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
BDKRB1 P46663 6/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
USP2 O75604 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
SCHEMBL2818774 1.00 ITGB3 (0.44) ITGB3ITGA2BALDH1A1CYP2C9CYP2C19
SCHEMBL2821908 0.95 CYP2C9 (0.47) ITGB3ITGA2BALDH1A1CYP2C9CYP2C19
SCHEMBL2815693 0.95 CYP2C9 (0.47) ITGB3ITGA2BALDH1A1CYP2C9CYP2C19
SCHEMBL2819707 0.87 ITGB3 (0.44) ITGB3ITGA2BALDH1A1CYP2C9CYP2C19
SCHEMBL2817274 0.87 ITGB3 (0.44) ITGB3ITGA2BALDH1A1CYP2C9CYP2C19
SCHEMBL2816127 0.86 BDKRB1 (0.46) ITGB3ITGA2BALDH1A1CYP2C9CYP2C19
SCHEMBL2818537 0.86 BDKRB1 (0.46) ITGB3ITGA2BALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2818551 0.86 ITGB3 (0.43) ITGB3ITGA2BALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2817965 0.86 ITGB3 (0.43) ITGB3ITGA2BALDH1A1CYP2C9CYP2C19
SCHEMBL2817512 0.86 ITGB3 (0.42) ITGB3ITGA2BALDH1A1CYP2C9CYP2C19

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 3190/4885ALDH1A1 2086/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ITGB3 3292/4885ITGA2B 3190/4885ALDH1A1 2086/4885

“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.