SCHEMBL4779810

SCHEMBL4779810

NC[C@@H](C(=O)O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
GRM8 O00222 1/20 0.48
GRM4 Q14833 1/20 0.48
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
TBXAS1 P24557 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 1/20 0.45
NAPRT Q6XQN6 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
APP P05067 1/20 0.43
GAA P10253 1/20 0.43
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4775271 1.00 SMN1; SMN2 (0.49) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL3869951 1.00 SMN1; SMN2 (0.49) SMN1; SMN2GRM8GRM4CFTRSLC6A2
Hydrochloric Acid SCHEMBL6773732 0.98 SMN1; SMN2 (0.47) SMN1; SMN2GRM8GRM4CFTRSLC6A2
Hydrochloric Acid SCHEMBL27645555 0.86 SMN1; SMN2 (0.46) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL25287082 0.84 SMN1; SMN2 (0.50) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL31038319 0.84 SMN1; SMN2 (0.50) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL235125 0.83 SMN1; SMN2 (0.50) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL29852444 0.83 SMN1; SMN2 (0.50) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL20213798 0.81 TBXAS1 (0.49) SMN1; SMN2GRM8GRM4CFTRSLC6A2
SCHEMBL7506734 0.81 ALDH1A1 (0.45) SMN1; SMN2KDM4EROCK2ROCK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP claimed
EP-0810994-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-06 EP claimed
EP-0810994-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1997-12-10 EP claimed
EP-1932852-A1 Novel taxane related peptides and uses thereof Campiani, Giuseppe (IT) 2008-06-18 EP 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-0946165-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 EP disclosed
EP-0946165-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-10-06 EP disclosed
WO-1998018460-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-05-07 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 1351/4885GRM8 3686/4885GRM4 3049/4885

“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.