SCHEMBL19117337

SCHEMBL19117337

Cc1cc(C(N)=O)cnc1[C@@H](C)CNC(=O)c1cnc(C(C)C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MAPK11 Q15759 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ PANK3 Q9H999 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ SIRT2 Q8IXJ6 2/20 0.32

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
SCHEMBL23559668 0.83 S1PR3 (0.39) MAPK14CYP2C9S1PR2S1PR1S1PR3
SCHEMBL19105598 0.80 HPGDS (0.41) VNN1HPGDSPANK3DPP4
SCHEMBL19105572 0.76 HPGDS (0.42) MAPK14HPGDS
SCHEMBL19698929 0.74 EGLN1 (0.43) KDM4EALDH1A1HPGDS
SCHEMBL19698958 0.72 GCG (0.43) KDM4EALDH1A1
SCHEMBL25138292 0.72 HDAC6 (0.50) —
SCHEMBL19698930 0.71 GPBAR1 (0.40) MAPK14CYP2C9MAPK11KDM4EHPGDS
SCHEMBL19698928 0.68 HCAR2 (0.43) HSD17B10KDM4EALDH1A1VNN1PANK3
SCHEMBL21783356 0.67 ATM (0.40) KDM4EALDH1A1HPGDS
SCHEMBL26337535 0.64 LMNA (0.42) VNN1HPGDS

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
US-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-02-04 — — US disclosed
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 — — US disclosed
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2019-04-11 — — US disclosed
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 — — 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 (4 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-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 MAPK14 3202/4885CYP2C9 1092/4885MAPK11 2292/4885
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 MAPK14 3202/4885CYP2C9 1092/4885MAPK11 2292/4885
US-10807988-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 MAPK14 3202/4885CYP2C9 1092/4885MAPK11 2292/4885
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 MAPK14 3202/4885CYP2C9 1092/4885MAPK11 2292/4885

“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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