SCHEMBL4780243

SCHEMBL4780243

COc1cc(C(F)(F)F)ccc1C1CCN(Cc2nc3ncccc3n2C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.77
DRD2 P14416 3/20 0.54
DRD4 P21917 2/20 0.53

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
SCHEMBL23746709 0.92 GRM2 (0.69) GRM2DRD2DRD4
SCHEMBL23719415 0.91 GRM2 (0.67) GRM2DRD2DRD4
SCHEMBL23746708 0.88 GRM2 (0.74) GRM2DRD2DRD4
SCHEMBL23719406 0.87 GRM2 (1.00) GRM2DRD2DRD4
SCHEMBL23719444 0.87 GRM2 (0.67) GRM2DRD2DRD4
SCHEMBL4725327 0.86 GRM2 (0.73) GRM2DRD2DRD4
Hydrochloric Acid SCHEMBL4777820 0.85 GRM2 (0.72) GRM2DRD2DRD4
SCHEMBL4941734 0.79 GRM2 (0.69) GRM2DRD2DRD4
SCHEMBL23719511 0.79 GRM2 (0.63) GRM2
SCHEMBL23719509 0.79 GRM2 (0.63) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
WO-2021155196-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 THE GENERAL HOSPITAL CORPORATION (US) 2021-08-05 WO disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 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-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM1, GRM2, GRIN1 GRM2 2/4885DRD2 430/4885DRD4 889/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 GRM2 4077/4885DRD2 1974/4885DRD4 1020/4885

“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.