SCHEMBL10007172

SCHEMBL10007172

CN(C)C(=O)n1c(=O)n(C)c2cnc(CCc3cccc(OCC(F)F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 9/20 0.39
▸ GRIN1 Q05586 3/20 0.37
▸ GRIN2B Q13224 3/20 0.37
▸ TRIM24 O15164 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ DUT P33316 1/20 0.34
▸ TSPO P30536 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL10006670 0.89 USP1 (0.40) USP1
SCHEMBL10006887 0.88 USP1 (0.37) USP1GRIN1GRIN2BHCRTR1HCRTR2
SCHEMBL10006801 0.85 ALDH1A1 (0.39) USP1GRIN1GRIN2BMAOAMAOB
SCHEMBL10006555 0.84 USP1 (0.46) USP1GRIN1GRIN2BTRIM24TSPO
SCHEMBL10260978 0.81 USP1 (0.39) USP1GRIN1GRIN2B
SCHEMBL10006876 0.79 KDM4E (0.42) USP1CYP2D6MAOB
SCHEMBL10008025 0.79 USP1 (0.40) USP1GRIN1GRIN2BCYP2D6TSPO
SCHEMBL10007126 0.79 GRIN2B (0.41) USP1GRIN1GRIN2BTSPO
SCHEMBL10261033 0.78 USP1 (0.43) USP1TSPOMAOAMAOB
SCHEMBL10006652 0.77 USP1 (0.39) USP1TSPOMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476682-B1 8-OXODIHYDROPURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-04-26 — — EP disclosed
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 — — US disclosed
EP-2476682-A1 8-OXODIHYDROPURINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-07-18 — — EP disclosed
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 — — 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-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE FAAH, FAAH2, TPMT USP1 1070/4885GRIN1 718/4885GRIN2B 635/4885

“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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