SCHEMBL6947971

SCHEMBL6947971

COC(=O)C=C(N)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
SARM1 Q6SZW1 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
SIRT3 Q9NTG7 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54
SIRT4 Q9Y6E7 1/20 0.54
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
APP P05067 1/20 0.47
GAA P10253 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
KMT2A Q03164 3/20 0.47

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
SCHEMBL6947970 1.00 ALDH1A1 (0.58) ALDH1A1F7F3SARM1SIRT2
SCHEMBL29105669 1.00 ALDH1A1 (0.58) ALDH1A1F7F3SARM1SIRT2
SCHEMBL29882651 1.00 ALDH1A1 (0.58) ALDH1A1F7F3SARM1SIRT2
SCHEMBL7916715 0.84 F7 (0.50) ALDH1A1F7F3SARM1SIRT2
SCHEMBL6629937 0.84 F7 (0.50) ALDH1A1F7F3SARM1SIRT2
SCHEMBL2279497 0.83 ALDH1A1 (0.60) ALDH1A1F7F3SARM1SIRT2
SCHEMBL2279492 0.83 ALDH1A1 (0.60) ALDH1A1F7F3SARM1SIRT2
SCHEMBL12309125 0.83 ALDH1A1 (0.60) ALDH1A1F7F3SARM1SIRT2
SCHEMBL20954559 0.80 F7 (0.61) ALDH1A1F7F3SARM1SIRT2
SCHEMBL1143779 0.80 TSHR (0.50) ALDH1A1LMNAHTTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475504-A 2-acetyl-3-amino-3-aryl-acrylic acid esters and preparation thereof UNIV SOOCHOW (CN) 2009-07-08 CN disclosed
EP-1165543-B1 PROCESS FOR PREPARING S-(R*,S*)] -$g(b) - 1- 1-OXO-3- (4-PIPERIDINYL) PROPYL] -3-PIPERIDINYL] CARBONYL] AMINO] -3- PYRIDINEPROPANOIC ACID AND DERIVATIVES ORTHO MCNEIL PHARM INC (US) 2003-06-04 EP disclosed
US-6515130-B1 The invention relates to a process of preparing (S-(R*,S*))-beta -(((1-(1-oxo-3-(4-piperidinyl)propyl)-3-piperidinyl) carbonyl)amino)-3-pyridinepropanoic acid derivatives represented by the antagonists of the platelet fibrinogen COHEN JUDITH H (US) 2003-02-04 US disclosed
US-20020137937-A1 Process for preparing [S- (R*, S*) ] -beta- [ [ [1- [1-oxo-3- (4-piperidinyl) propyl] -3-piperidinyl] carbonyl]amino] -3-pyridinepropanoic acid and derivatives COHEN JUDITH H (US) 2002-09-26 US disclosed
EP-1165543-A1 PROCESS FOR PREPARING S-(R*,S*)] -$g(b) - 1- 1-OXO-3- (4-PIPERIDINYL) PROPYL] -3-PIPERIDINYL] CARBONYL] AMINO] -3- PYRIDINEPROPANOIC ACID AND DERIVATIVES Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-01-02 EP disclosed
WO-2000056730-A1 PROCESS FOR PREPARING [S-(R*,S*)] -β -[[[1-[1-OXO-3- (4-PIPERIDINYL) PROPYL] -3-PIPERIDINYL] CARBONYL] AMINO] -3- PYRIDINEPROPANOIC ACID AND DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-09-28 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 (1 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-20020137937-A1 Process for preparing [S- (R*, S*) ] -beta- [ [ [1- [1-oxo-3- (4-piperidinyl) propyl] -3-piperidinyl] carbonyl]amino] -3-pyridinepropanoic acid and derivatives GRHPR, SUCNR1, GABARAPL1 ALDH1A1 217/4885F7 389/4885F3 2604/4885

“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.