SCHEMBL10131002

SCHEMBL10131002

C(#Cc1ccc(-c2ccccc2)cn1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.54
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
APP P05067 1/20 0.46
MCHR1 Q99705 2/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44

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
SCHEMBL10130996 0.80 GRM5 (0.47) GRM5FFAR1FFAR4
SCHEMBL10131003 0.77 GRM5 (0.54) GRM5FFAR1FFAR4APP
SCHEMBL30833070 0.77 GRM5 (0.54) GRM5FFAR1FFAR4APPCYP1A2
SCHEMBL10131004 0.77 GRM5 (0.54) GRM5FFAR1FFAR4APP
SCHEMBL6595034 0.77 GRM5 (0.54) GRM5FFAR1FFAR4APP
SCHEMBL3955825 0.77 GRM5 (0.54) GRM5FFAR1FFAR4APPCYP1A2
SCHEMBL5886608 0.76 APP (0.71) GRM5FFAR1APPCYP1A1CYP1A2
SCHEMBL5219755 0.76 RAB9A (0.45)
SCHEMBL31588411 0.76 CHEK1 (0.63)
SCHEMBL70602 0.76 CHEK1 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US disclosed
US-7531541-B2 Partial mGluR5 antagonists for treatment of anxiety and CNS disorders VANDERBILT UNIVERSITY (US) 2009-05-12 US disclosed
US-20070208028-A1 Partial mGluR5 antagonists for treatment of anxiety and CNS disorders VANDERBILT UNIVERSITY 2007-09-06 US 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-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR GRM6, GRM5, GRM7 GRM5 2/4885FFAR1 1932/4885FFAR4 2197/4885
US-20070208028-A1 Partial mGluR5 antagonists for treatment of anxiety and CNS disorders GRM5, GRIK5, GRM1 GRM5 1/4885FFAR1 210/4885FFAR4 220/4885

“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.