SCHEMBL951611

SCHEMBL951611

O=C(OC1CCC1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 16/20 0.58
TPSD1 Q9BZJ3 16/20 0.58
TPSG1 Q9NRR2 16/20 0.58
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47
PRSS1 P07477 4/20 0.45
F2 P00734 2/20 0.45
CA2 P00918 1/20 0.44
CHKA P35790 1/20 0.44

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
SCHEMBL7425278 1.00 TPSAB1 (0.58) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL7419974 0.98 TPSAB1 (0.57) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL8188321 0.98 TPSAB1 (0.57) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL28796541 0.96 TPSAB1 (0.55) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL24855882 0.94 TPSAB1 (0.54) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL30743824 0.94 TPSAB1 (0.54) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL17479229 0.90 TPSAB1 (0.52) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL8267252 0.89 TPSAB1 (0.49) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL26929377 0.85 TPSAB1 (0.46) TPSAB1TPSD1TPSG1CHRNB2CHRNA3
SCHEMBL26124912 0.85 TPSAB1 (0.55) TPSAB1TPSD1TPSG1CHRNB2CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 TPSAB1 306/4885TPSD1 680/4885TPSG1 599/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 TPSAB1 236/4885TPSD1 417/4885TPSG1 671/4885

“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.