SCHEMBL4885659

SCHEMBL4885659

Cc1ncc(C)c2[nH]c(CN3CC[C@@H](c4ccc(C(F)(F)F)cc4F)[C@@H](C)C3)nc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.53
ATM Q13315 1/20 0.36
PDE2A O00408 3/20 0.35
CNR2 P34972 3/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
RPS6KB1 P23443 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL4885674 0.76 GRM2 (0.72) GRM2
SCHEMBL4885648 0.76 GRM2 (0.72) GRM2
SCHEMBL4846230 0.69 GRM2 (0.71) GRM2
SCHEMBL4846240 0.69 GRM2 (0.71) GRM2
SCHEMBL4846223 0.69 GRM2 (0.71) GRM2
SCHEMBL23719405 0.69 GRM2 (1.00) GRM2
SCHEMBL19444117 0.61 CHRNB2 (0.45) GRM2PDE2A
SCHEMBL23706223 0.61 TACR1 (0.48) GRM2
SCHEMBL4931353 0.60 HTR2C (0.48) GRM2PDE2A
SCHEMBL4931358 0.60 HTR2C (0.48) GRM2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 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 (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-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 GRM2 4077/4885ATM 2061/4885PDE2A 34/4885

“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.