Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B known ✓ | Q13224 | 10/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | FAAH | O00519 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.49 |
| ▸ | F13A1 | P00488 | 1/20 | 0.48 |
| ▸ | TGM2 | P21980 | 1/20 | 0.48 |
| ▸ | TGM1 | P22735 | 1/20 | 0.48 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.47 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6823133 | 0.88 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9ACYP2C19FAAH | |
| SCHEMBL6948530 | 0.87 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9ACYP2C19FAAH | |
| SCHEMBL15140566 | 0.87 | SMN1; SMN2 (0.72) | SMN1; SMN2NPC1RAB9ACYP2C19FAAH | |
| SCHEMBL8553423 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2NPC1RAB9ACYP2C19FAAH | |
| SCHEMBL9216971 | 0.86 | SMN1; SMN2 (0.64) | SMN1; SMN2NPC1RAB9ACYP2C19FAAH | |
| SCHEMBL5763722 | 0.85 | BCHE (0.63) | SMN1; SMN2NPC1RAB9ACYP2C19FAAH | |
| SCHEMBL21553751 | 0.84 | SMN1; SMN2 (0.68) | SMN1; SMN2NPC1RAB9ACYP2C19FAAH | |
| SCHEMBL458148 | 0.84 | SMN1; SMN2 (0.68) | SMN1; SMN2NPC1RAB9ACYP2C19FAAH | |
| SCHEMBL8549475 | 0.84 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9ACYP2C19FAAH | |
| SCHEMBL15966296 | 0.84 | SMN1; SMN2 (0.61) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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.
| Patent | Title | Text reads most about | Predicted 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 | GRIN2B 1067/4885SMN1; SMN2 1351/4885NPC1 2728/4885 |
“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.