SCHEMBL6199786

SCHEMBL6199786

CCOC(=O)c1c(C)nc(C#Cc2ccc(F)cc2)n1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.52
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
CASP3 P42574 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL6202119 0.88 GABRA2 (0.44) GRM5GABRA2GABRB2KMT2AKDM4E
SCHEMBL6203026 0.88 LMNA (0.48) GRM5GABRA2GABRB2KMT2AKDM4E
SCHEMBL6198642 0.88 GRM5 (0.50) GRM5GABRA2GABRB2KMT2AKDM4E
SCHEMBL6201462 0.86 ADORA3 (0.47) GRM5GABRA2GABRB2KMT2AKDM4E
SCHEMBL6200156 0.81 GRM5 (0.43) GRM5KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL6208213 0.81 GRM5 (0.43) GRM5GABRA2GABRB2KMT2AKDM4E
SCHEMBL6199507 0.81 GRM5 (0.53) GRM5KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL6198861 0.78 GRM5 (0.44) GRM5KMT2AKDM4EMAPK1ALDH1A1
SCHEMBL18003006 0.78 GABRA2 (0.61) GABRA2GABRB2KMT2AKDM4EMAPK1
SCHEMBL6201322 0.78 SMN1; SMN2 (0.49) GRM5GABRA2GABRB2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349839-B8 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-22 EP claimed
EP-1349839-B1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-02-09 EP claimed
EP-1349839-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP claimed
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles F.HOFFMANN-LA ROCHE AG (CH) 2002-09-12 US claimed
WO-2002046166-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO claimed
US-6972299-B2 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles HOFFMANN-LA ROCHE INC. (US) 2005-12-06 US disclosed
US-6927232-B2 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles HOFFMAN-LA ROCHE INC. (US) 2005-08-09 US disclosed
EP-1349839-B8 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-22 EP disclosed
US-20050131043-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2005-06-16 US disclosed
EP-1349839-B1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-02-09 EP disclosed
US-6706707-B2 TREATMENT OR PREVENTION OF MGLUR5 RECEPTOR MEDIATED DISORDERS. HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
US-20030225070-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2003-12-04 US disclosed
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2003-11-06 US disclosed
EP-1349839-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles F.HOFFMANN-LA ROCHE AG (CH) 2002-09-12 US disclosed
WO-2002046166-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 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 (4 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-20050131043-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM6 GRM5 1/4885GABRA2 182/4885GABRB2 189/4885
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 GRM5 1/4885GABRA2 134/4885GABRB2 125/4885
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 GRM5 1/4885GABRA2 134/4885GABRB2 125/4885
US-20030225070-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, HRH4 GRM5 1/4885GABRA2 120/4885GABRB2 98/4885

“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.