SCHEMBL19105598

SCHEMBL19105598

CC(C)c1ncc(C(N)=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.41
▸ NNMT P40261 8/20 0.39
▸ PARP10 Q53GL7 3/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PARP15 Q460N3 1/20 0.39
▸ PARP14 Q460N5 1/20 0.39
▸ PANK3 Q9H999 1/20 0.38
▸ VNN1 O95497 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DPP4 P27487 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ STAMBP O95630 1/20 0.36
▸ COPS5 Q92905 1/20 0.36

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
SCHEMBL19698928 0.84 HCAR2 (0.43) PANK3VNN1LMNA
SCHEMBL23559668 0.83 S1PR3 (0.39) HPGDS
SCHEMBL19105572 0.81 HPGDS (0.42) HPGDSNNMTPARP10SMN1; SMN2LMNA
SCHEMBL19117337 0.80 MAPK14 (0.39) HPGDSPANK3VNN1DPP4
SCHEMBL22040909 0.80 PDE9A (0.36) PANK3SMN1; SMN2
SCHEMBL25138292 0.80 HDAC6 (0.50) —
SCHEMBL17148533 0.79 HTT (0.41) HPGDSNNMTSMN1; SMN2LMNA
SCHEMBL21139099 0.77 PANK3 (0.32) PANK3
SCHEMBL26337535 0.77 LMNA (0.42) HPGDSNNMTVNN1SMN1; SMN2LMNA
SCHEMBL13394495 0.76 NNMT (0.39) HPGDSNNMTSMN1; SMN2LMNAPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 — — US disclosed
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-24 — — US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 — — EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 — — EP disclosed
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 — — US disclosed
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 — — US disclosed
WO-2017121647-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 — — WO 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
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-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 HPGDS 942/4885NNMT 3089/4885PARP10 1663/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT HPGDS 128/4885NNMT 25/4885PARP10 1396/4885
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 HPGDS 942/4885NNMT 3089/4885PARP10 1663/4885
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 HPGDS 942/4885NNMT 3089/4885PARP10 1663/4885

“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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