SCHEMBL16682712

SCHEMBL16682712

CC(C)(C)OC(=O)N1CCCn2nc(-c3ccccn3)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 14/20 0.58
▸ GPR119 Q8TDV5 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ MAPK1 P28482 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
SCHEMBL16682723 0.94 GRM5 (0.67) GRM5GPR119POLB
SCHEMBL18200199 0.81 GRM5 (0.52) GRM5GPR119POLB
SCHEMBL16682558 0.79 TGFBR1 (0.44) GRM5GPR119POLBUSP30MAPK1
SCHEMBL16682635 0.79 GRM5 (0.48) GRM5GPR119POLBMAPK1
SCHEMBL16682534 0.78 TGFBR1 (0.43) GRM5GPR119POLBUSP30MAPK1
SCHEMBL16682675 0.78 THRB (0.45) GRM5GPR119POLBUSP30MAPK1
SCHEMBL18200209 0.78 GRM5 (0.47) GRM5POLB
SCHEMBL23389957 0.77 GRM5 (0.67) GRM5
SCHEMBL29796602 0.77 GRM5 (0.67) GRM5
SCHEMBL30706967 0.77 NR1H2 (0.43) POLBMAPK1

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-20160318933-A1 FUSED PYRAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-11-03 — — US disclosed
US-20160318933-A1 FUSED PYRAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-11-03 — — US disclosed
WO-2015060348-A1 FUSED PYRAZOLE DERIVATIVE 大日本住友製薬株式会社 2015-04-30 — — 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 (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 185/4885GPR119 615/4885POLB 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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