SCHEMBL6948530

SCHEMBL6948530

O=C(O)CCC1CCN(C(=O)OCc2ccccc2)CC1.[CaH2]

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP2C19 P33261 1/20 0.62
FAAH O00519 1/20 0.59
GRIN2B Q13224 11/20 0.59
CYP2D6 P10635 4/20 0.58
CYP2C9 P11712 4/20 0.58
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP3A4 P08684 3/20 0.55
CHRM4 P08173 1/20 0.52
TPSAB1 Q15661 1/20 0.49
TPSD1 Q9BZJ3 1/20 0.49
TPSG1 Q9NRR2 1/20 0.49

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
SCHEMBL6823133 0.99 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL7206044 0.91 FAAH (0.67) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
Hydrochloric Acid SCHEMBL8624318 0.91 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
Hydrochloric Acid SCHEMBL7859272 0.90 FAAH (0.66) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL7280086 0.90 FAAH (0.62) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL15140566 0.89 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL7282047 0.89 FAAH (0.61) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL8553423 0.88 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL9216971 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL5763722 0.87 BCHE (0.63) SMN1; SMN2NPC1RAB9ACYP2C19FAAH

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
EP-1165543-B1 PROCESS FOR PREPARING S-(R*,S*)] -$g(b) - 1- 1-OXO-3- (4-PIPERIDINYL) PROPYL] -3-PIPERIDINYL] CARBONYL] AMINO] -3- PYRIDINEPROPANOIC ACID AND DERIVATIVES ORTHO MCNEIL PHARM INC (US) 2003-06-04 EP disclosed
US-6515130-B1 The invention relates to a process of preparing (S-(R*,S*))-beta -(((1-(1-oxo-3-(4-piperidinyl)propyl)-3-piperidinyl) carbonyl)amino)-3-pyridinepropanoic acid derivatives represented by the antagonists of the platelet fibrinogen COHEN JUDITH H (US) 2003-02-04 US disclosed
US-20020137937-A1 Process for preparing [S- (R*, S*) ] -beta- [ [ [1- [1-oxo-3- (4-piperidinyl) propyl] -3-piperidinyl] carbonyl]amino] -3-pyridinepropanoic acid and derivatives COHEN JUDITH H (US) 2002-09-26 US disclosed
CN-1351600-A Process for preparing [S-(R*,S*)]-beta-[[[1-[1-OXO-3-(4-piperidinyl)propyl]-3-piperidinyl]amino]-3-pyridinepropanoic acid and derivatives ORTHO MCNEIL PHARM INC (US) 2002-05-29 CN disclosed
EP-1165543-A1 PROCESS FOR PREPARING S-(R*,S*)] -$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 SMN1; SMN2 1351/4885NPC1 2728/4885RAB9A 154/4885

“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.