SCHEMBL16682635

SCHEMBL16682635

Cc1cccnc1-c1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 12/20 0.48
▸ SQOR Q9Y6N5 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NR1H2 P55055 1/20 0.42
▸ DTYMK P23919 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ SMO Q99835 2/20 0.40
▸ GRM1 Q13255 1/20 0.40

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
SCHEMBL18200209 0.88 GRM5 (0.47) GRM5POLBGRM1
SCHEMBL18200199 0.85 GRM5 (0.52) GRM5POLBNR1H2DTYMKGPR119
SCHEMBL16682723 0.85 GRM5 (0.67) GRM5POLBGPR119
SCHEMBL24277112 0.81 GRM5 (0.44) GRM5NR1H2
SCHEMBL29796602 0.80 GRM5 (0.67) GRM5NR1H2
SCHEMBL23389957 0.80 GRM5 (0.67) GRM5NR1H2
SCHEMBL16682712 0.79 GRM5 (0.58) GRM5POLBMAPK1GPR119
SCHEMBL26645489 0.78 MEN1 (0.44) GRM5POLBNR1H2GPR119
SCHEMBL12307404 0.78 NR1H2 (0.48) GRM5POLBNR1H2MAPK1
SCHEMBL18183865 0.77 GRM5 (0.44) GRM5POLBNR1H2DTYMKMAPK1

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 185/4885SQOR 264/4885POLB 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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