SCHEMBL12169366

SCHEMBL12169366

O=C(O)c1cnc2c(c1)OCCN2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.52
▸ NNMT P40261 2/20 0.46
▸ ALOX5AP P20292 9/20 0.41
▸ FEN1 P39748 9/20 0.41
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ P4HA1 P13674 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ IMPDH2 P12268 1/20 0.36
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35

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
SCHEMBL31133539 1.00 GRM5 (0.52) GRM5NNMTALOX5APFEN1ALDH1A1
SCHEMBL21201865 0.91 NNMT (0.47) GRM5NNMTALOX5APFEN1ALDH1A1
SCHEMBL22227201 0.90 NNMT (0.46) GRM5NNMTALOX5APFEN1ALDH1A1
SCHEMBL14242971 0.86 GRM5 (0.48) GRM5NNMTALOX5APFEN1PIK3R1
SCHEMBL25787851 0.86 NNMT (0.62) GRM5NNMTALOX5APFEN1PIK3R1
SCHEMBL16865846 0.82 GRM5 (0.45) GRM5NNMTALOX5APFEN1POLB
SCHEMBL15878795 0.82 GRM5 (0.45) GRM5NNMTALOX5APFEN1ALDH1A1
Bromide SCHEMBL16859042 0.81 GRM5 (0.44) GRM5NNMTALOX5APFEN1POLB
SCHEMBL24099923 0.79 FEN1 (0.43) GRM5NNMTALOX5APFEN1PIK3R1
SCHEMBL22225994 0.79 GRM5 (0.45) GRM5NNMTALDH1A1MAPK1POLB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 — — US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 — — EP disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
WO-2023129512-A1 BICYCLIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-07-06 — — WO disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 — — US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 — — US disclosed
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 — — EP disclosed
EP-3856178-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2021-08-04 — — EP disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 — — WO disclosed
US-20200102303-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — US disclosed
WO-2018030550-A1 HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 — — WO disclosed
US-9562060-B2 Heterocyclic pyridone compound, and intermediate, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2017-02-07 — — US disclosed
US-9562060-B2 Heterocyclic pyridone compound, and intermediate, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2017-02-07 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2014-07-24 — — US disclosed
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2014-07-24 — — US disclosed
WO-2012167600-A1 A HETEROCYCLIC [B]PYRIDONE COMPOUND, INTERMEDIATES THEREOF, METHOD OF PREPARATION AND USES 上海汇伦生命科技有限公司 (CN) 2012-12-13 — — WO disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — 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 (7 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GRM5 153/4885NNMT 4068/4885ALOX5AP 508/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH GRM5 309/4885NNMT 4025/4885ALOX5AP 1017/4885
US-20200102303-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GRM5 153/4885NNMT 4068/4885ALOX5AP 508/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GRM5 153/4885NNMT 4068/4885ALOX5AP 508/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B GRM5 479/4885NNMT 1294/4885ALOX5AP 1864/4885
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF MET, PDXK, FLT3 GRM5 648/4885NNMT 593/4885ALOX5AP 1466/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP GRM5 153/4885NNMT 4068/4885ALOX5AP 508/4885

“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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