SCHEMBL953978

SCHEMBL953978

CCCCOC(=O)N1CCN(C(=O)C(N)COCC)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.39
HRH2 P25021 7/20 0.39
HRH1 P35367 7/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
P2RY12 Q9H244 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL953977 1.00 POLB (0.50) POLBSMN1; SMN2LMNATSHRGAA
SCHEMBL3329393 0.89 LMNA (0.52) POLBSMN1; SMN2LMNATSHRGAA
SCHEMBL3329398 0.89 LMNA (0.52) POLBSMN1; SMN2LMNATSHRGAA
SCHEMBL523121 0.86 POLB (0.55) POLBSMN1; SMN2LMNATSHRGAA
SCHEMBL523122 0.86 POLB (0.55) POLBSMN1; SMN2LMNATSHRGAA
SCHEMBL523224 0.85 LMNA (0.54) POLBSMN1; SMN2LMNATSHRGAA
SCHEMBL522823 0.85 LMNA (0.54) POLBSMN1; SMN2LMNATSHRGAA
SCHEMBL523223 0.85 LMNA (0.54) POLBSMN1; SMN2LMNATSHRGAA
SCHEMBL522822 0.85 LMNA (0.54) POLBSMN1; SMN2LMNATSHRGAA
SCHEMBL694181 0.85 POLB (0.54) POLBSMN1; SMN2LMNATSHRGAA

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 POLB 1874/4885SMN1; SMN2 4406/4885LMNA 977/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 POLB 2236/4885SMN1; SMN2 4214/4885LMNA 1671/4885

“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.