SCHEMBL18200209

SCHEMBL18200209

CC(C)(C)OC(=O)N1CCn2nc(-c3ncccc3F)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 18/20 0.47
▸ GRM1 Q13255 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ CYP3A5 P20815 1/20 0.42

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
SCHEMBL16682635 0.88 GRM5 (0.48) GRM5GRM1POLB
SCHEMBL18200199 0.85 GRM5 (0.52) GRM5POLB
SCHEMBL16682723 0.84 GRM5 (0.67) GRM5POLB
SCHEMBL16711314 0.81 GRM5 (0.50) GRM5GRM1
SCHEMBL16711195 0.80 GRM5 (0.50) GRM5GRM1
SCHEMBL24277112 0.80 GRM5 (0.44) GRM5
SCHEMBL26645345 0.79 CYP3A4 (0.48) GRM5POLBCYP3A4CYP3A5
SCHEMBL26645758 0.78 GRM5 (0.43) GRM5POLBCYP3A4CYP3A5
SCHEMBL16682712 0.78 GRM5 (0.58) GRM5POLB
SCHEMBL30622995 0.78 CFTR (0.44) GRM5

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-20160318933-A1 FUSED PYRAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-11-03 — — 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-20160318933-A1 FUSED PYRAZOLE DERIVATIVE DRD4, DRD2, DRD3 GRM5 185/4885GRM1 198/4885POLB 3812/4885

“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.

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