SCHEMBL4185732

SCHEMBL4185732

CCNC(=O)COc1ccccc1CN

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 3/20 0.52
HSD17B10 Q99714 2/20 0.51
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL637931 0.82 HSD17B10 (0.52) NPSR1SMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL4616436 0.80 TSHR (0.56) NPSR1SMN1; SMN2TSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL7408475 0.79 TSHR (0.55) NPSR1SMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL6975532 0.79 HTT (0.61) NPSR1SMN1; SMN2HSD17B10TSHRPOLB
SCHEMBL13115728 0.78 TSHR (0.69) NPSR1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL4837994 0.77 L3MBTL1 (0.65) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL639350 0.77 SMN1; SMN2 (0.55) NPSR1SMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL637930 0.77 SMN1; SMN2 (0.54) NPSR1SMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL8335930 0.77 TSHR (0.69) SMN1; SMN2RAB9ANPC1HSD17B10TSHR
SCHEMBL29125701 0.76 HSD17B10 (0.61) NPSR1SMN1; SMN2RAB9ANPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131668-A1 4-oxo-4,6,7,8-Tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds LES LABORATOIRES SERVIER (FR) 2009-05-21 US disclosed
US-7498330-B2 4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds LES LABORATORIES SERVIER (FR) 2009-03-03 US disclosed
EP-1593682-B1 Derivatives of 4-oxo-4,6,7,8-tetrahydropyrrolo¬1,2-a pyrazine-6-carboxamides, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2007-11-07 EP disclosed
EP-1593682-A2 Derivatives of 4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamides, process for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2005-11-09 EP disclosed
US-20050209234-A1 4-Oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds LES LABORATOIRES SERVIER (FR) 2005-09-22 US disclosed
EP-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
US-6277851-B1 ORALLY ADMINISTERED TRYPSIN-RELATED SERINE PROTEASE INHIBITORS; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-08-21 US disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 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 (2 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-20090131668-A1 4-oxo-4,6,7,8-Tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds F2, TBXA2R, PDGFRA NPSR1 562/4885SMN1; SMN2 4422/4885RAB9A 3822/4885
US-20050209234-A1 4-Oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds F2, TBXA2R, PDGFRA NPSR1 562/4885SMN1; SMN2 4422/4885RAB9A 3822/4885

“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.