SCHEMBL2597811

SCHEMBL2597811

O=C(O)c1cccc(C=Cc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.61
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
PKM P14618 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
TSHR P16473 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
GRM5 P41594 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56

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
SCHEMBL2597810 1.00 GRM4 (0.61) GRM4KDM4EALDH1A1NPC1RAB9A
SCHEMBL5865243 0.87 KDM4E (0.48) GRM4KDM4EALDH1A1NPC1RAB9A
SCHEMBL11887657 0.87 GRM4 (0.54) GRM4KDM4EALDH1A1NPC1RAB9A
SCHEMBL5865134 0.87 KDM4E (0.50) GRM4KDM4EALDH1A1NPC1RAB9A
SCHEMBL5865137 0.87 KDM4E (0.50) GRM4KDM4EALDH1A1NPC1RAB9A
SCHEMBL5865307 0.87 KDM4E (0.48) GRM4KDM4EALDH1A1NPC1RAB9A
SCHEMBL5865306 0.87 KDM4E (0.48) GRM4KDM4EALDH1A1NPC1RAB9A
SCHEMBL5865056 0.87 KDM4E (0.48) GRM4KDM4EALDH1A1NPC1RAB9A
SCHEMBL4713611 0.86 GRM4 (0.62) GRM4KDM4EALDH1A1NPC1RAB9A
SCHEMBL4713613 0.86 GRM4 (0.62) GRM4KDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
EP-2571359-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 US disclosed
WO-2011146354-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed
CN-1203060-C Pyridine derivatives, compositions and uses thereof NOVARTIS AG (CH) 2005-05-25 CN disclosed
US-6656957-B1 Marked and selective modulating, especially antagonistic, action at human metabotropic glutamate receptors (mGluRs); treatment of disorders such as epilepsy, cerebral ischemias, especially acute ischemias, spasticity etc. NOVARTIS AG (CH) 2003-12-02 US disclosed
CN-1262676-A Pyridine derivatives NOVARTIS AG (CH) 2000-08-09 CN disclosed
EP-0053789-B1 2-PYRIDINECARBOXAMIDE DERIVATIVE, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITION, USEFUL AS AN ANTI-ALLERGIC AGENT Tanabe Seiyaku Co., Ltd. (JP) 1985-03-27 EP disclosed
US-4404214-A 2-Pyridinecarboxamide derivatives compositions containing same and method of using same TANABE SEIYAKU CO., LTD. (JP) 1983-09-13 US disclosed
EP-0053789-A1 2-Pyridinecarboxamide derivative, process for preparing same and pharmaceutical composition, useful as an anti-allergic agent Tanabe Seiyaku Co., Ltd. (JP) 1982-06-16 EP 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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP GRM4 4461/4885KDM4E 576/4885ALDH1A1 661/4885

“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.