SCHEMBL16367611

SCHEMBL16367611

CC(C)N1CCc2cc(OC(F)(F)F)ccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.48
▸ WDR77 Q9BQA1 2/20 0.48
▸ HRH3 Q9Y5N1 5/20 0.47
▸ THRB P10828 1/20 0.44
▸ CHRM5 P08912 3/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ AOC3 Q16853 2/20 0.39
▸ CES1 P23141 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ CRHR1 P34998 1/20 0.38

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
SCHEMBL13322633 0.83 GRM5 (0.51) PRMT5WDR77HRH3ITGB3ITGA2B
SCHEMBL16375197 0.82 AOC3 (0.55) PRMT5WDR77HRH3CHRM5AOC3
SCHEMBL12628111 0.76 GRM5 (0.49) GRM5
SCHEMBL25591487 0.75 GRM5 (0.40) HRH3ITGB3ITGA2BGRM5
SCHEMBL2741632 0.75 GRM5 (0.40) HRH3GRM5
SCHEMBL19887439 0.75 SDCBP (0.46) PRMT5WDR77GRM5
SCHEMBL4418583 0.74 ITGB3 (0.43) PRMT5WDR77THRBAOC3ITGB3
SCHEMBL29135309 0.73 HRH3 (0.55) PRMT5WDR77HRH3THRBCHRM5
SCHEMBL16848201 0.73 AOC3 (0.49) PRMT5WDR77HRH3CHRM5AOC3
SCHEMBL23068721 0.73 AOC3 (0.75) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326985-B2 Heteroaryl pyridone and aza-pyridone amide compounds GENENTECH, INC. (US) 2016-05-03 — — US disclosed
US-20150011461-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE AMIDE COMPOUNDS GENENTECH, INC. (US) 2015-01-08 — — 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-20150011461-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE AMIDE COMPOUNDS BTK, TYK2, LCK PRMT5 1364/4885WDR77 1437/4885HRH3 523/4885

“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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