SCHEMBL6197153

SCHEMBL6197153

C(#Cc1ncn2c1COc1ccccc1-2)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 1.00
GABRP O00591 9/20 1.00
GABRD O14764 9/20 1.00
GABRA1 P14867 9/20 1.00
GABRB1 P18505 9/20 1.00
GABRG2 P18507 9/20 1.00
GABRB3 P28472 9/20 1.00
GABRA5 P31644 9/20 1.00
GABRA3 P34903 9/20 1.00
GABRA2 P47869 9/20 1.00
GABRB2 P47870 9/20 1.00
GABRA4 P48169 9/20 1.00
GABRE P78334 9/20 1.00
GABRA6 Q16445 9/20 1.00
GABRG1 Q8N1C3 9/20 1.00
GABRG3 Q99928 9/20 1.00
GABRQ Q9UN88 9/20 1.00
ADORA2A P29274 1/20 0.36
APP P05067 1/20 0.32

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
SCHEMBL3950799 0.84 GABRG2 (0.72) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL3950470 0.82 GABRG2 (0.69) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL3960106 0.78 GRM5 (0.62) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL3954787 0.74 GABRG2 (0.58) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL2234693 0.70 GABRG2 (0.54) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL2233575 0.70 GABRG2 (0.54) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL6195949 0.70 GRM5 (0.54) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL9046799 0.65 GABRG2 (0.48) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL10569786 0.65 GRM5 (0.77) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL10576549 0.65 GABRA1 (1.00) GRM5GABRPGABRDGABRA1GABRB1

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 20 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
US-6706707-B2 TREATMENT OR PREVENTION OF MGLUR5 RECEPTOR MEDIATED DISORDERS. HOFFMAN-LA ROCHE INC. 2004-03-16 US 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
EP-1599204-A2 SELECTIVE MGLU5 ANTAGONISTS FOR TREATMENT OF NEUROMUSCULAR DYSFUNCTION OF THE LOWER URINARY TRACT Recordati Ireland Limited (IE) 2005-11-30 EP 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-20040215284-A1 Treatment of neuromuscular dysfunction of the lower urinary tract with selective mGlu5 antagonists RECORDATI S.A. 2004-10-28 US disclosed
WO-2004067002-A2 SELECTIVE mGlu5 ANTAGONISTS FOR TREATMENT OF NEUROMUSCULAR DYSFUNCTION OF THE LOWER URINARY TRACT RECORDATI IRELAND LIMITED (IE) 2004-08-12 WO 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 1/4885GABRP 205/4885GABRD 502/4885
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 GRM5 1/4885GABRP 104/4885GABRD 355/4885
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 GRM5 1/4885GABRP 104/4885GABRD 355/4885
US-20030225070-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, HRH4 GRM5 1/4885GABRP 100/4885GABRD 309/4885

“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.