SCHEMBL953403

SCHEMBL953403

CCCCOC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 2/20 0.59
LMNA P02545 1/20 0.59
USP2 O75604 1/20 0.49
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
CNR2 P34972 1/20 0.42
HPGD P15428 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
TLR8 Q9NR97 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL952650 0.90 SMN1; SMN2 (0.51) SMN1; SMN2POLBLMNAUSP2HPGD
SCHEMBL9405372 0.88 POLB (0.73) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL22407745 0.85 MEN1 (0.49) SMN1; SMN2POLBLMNAUSP2HPGD
SCHEMBL1189317 0.84 ALDH1A1 (0.56) SMN1; SMN2POLBLMNAUSP2HPGD
SCHEMBL15932258 0.83 POLB (0.59) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL18760263 0.83 HRH2 (0.51) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL28898794 0.83 USP2 (0.51) SMN1; SMN2LMNAUSP2HPGDGPR119
SCHEMBL524083 0.82 ALDH1A1 (0.56) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL4321429 0.81 USP2 (0.50) SMN1; SMN2POLBLMNAUSP2HPGD
SCHEMBL113667 0.81 SMN1; SMN2 (0.50) SMN1; SMN2POLBLMNAUSP2HPGD

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 18 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-8466156-B2 2-phenyl-4-cyclopropyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-06-18 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
EP-2283011-B1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-11-23 EP disclosed
US-8058263-B2 Substituted 2-phenyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2011-11-15 US disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 US disclosed
EP-2283011-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP disclosed
US-20110028484-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-03 US disclosed
EP-2279191-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-02 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-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO disclosed
WO-2009125365-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO 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 (4 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 SMN1; SMN2 4406/4885POLB 1874/4885LMNA 977/4885
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES P2RY12, P2RY13, P2RY11 SMN1; SMN2 3114/4885POLB 4086/4885LMNA 2647/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 SMN1; SMN2 4214/4885POLB 2236/4885LMNA 1671/4885
US-20110028484-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES P2RY12, P2RY13, P2RY4 SMN1; SMN2 3027/4885POLB 3634/4885LMNA 3905/4885

“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.