SCHEMBL441012

SCHEMBL441012

CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
PKM P14618 1/20 0.62
GPR119 Q8TDV5 1/20 0.61
STS P08842 3/20 0.61
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
CPB1 P15086 1/20 0.55
HPGD P15428 1/20 0.54
MGLL Q99685 1/20 0.53
HSD11B1 P28845 1/20 0.53

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
SCHEMBL407900 0.92 KDM4E (0.56) KDM4EPKMGPR119STSKMT2A
SCHEMBL21848120 0.92 KDM4E (0.56) KDM4EPKMGPR119STSKMT2A
SCHEMBL1156326 0.92 KDM4E (0.56) KDM4EPKMGPR119STSKMT2A
SCHEMBL14113587 0.87 KMT2A (0.71) GPR119STSKMT2AMEN1PTPN2
SCHEMBL24833605 0.86 MGLL (0.56) GPR119STSKMT2APTPN2PTPN1
SCHEMBL473345 0.86 STS (0.67) STSKMT2AMEN1MGLLHSD11B1
SCHEMBL4235957 0.86 MGLL (0.56) GPR119STSKMT2APTPN2PTPN1
SCHEMBL18228469 0.86 GPR119 (0.58) KDM4EGPR119STSKMT2APTPN2
SCHEMBL228921 0.86 HSD11B1 (0.63) KDM4EKMT2AMEN1MGLLHSD11B1
SCHEMBL16395219 0.86 KDM4E (0.59) KDM4EPKMGPR119STSKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2026-03-17 US disclosed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 CN disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
EP-3840747-B1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-03-29 EP disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
EP-4034602-A1 FLUORESCENT PROBES FOR MONOACYLGLYCEROL LIPASE (MAGL) F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
EP-1408037-A1 Novel diarylmethylpiperazine and diarylmethylphenyl compounds with analgesic effect AstraZeneca AB (SE) 2004-04-14 EP disclosed
US-6680321-B1 4-((1-PIPERAZINYLMETHYL)-BENZAMIDE DERIVATIVES; HYPOTENSIVE AGENTS; IMMUNOMODULATORS ASTRAZENECA CANADA, INC. (CA) 2004-01-20 US disclosed
WO-2003082278-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-10-09 WO disclosed
CN-1119336-C Novel compounds with analgesic action ASTRA PHARMA INC (CA) 2003-08-27 CN disclosed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO disclosed
WO-2003033495-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2003-04-24 WO disclosed
US-6130222-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-10-10 US disclosed
EP-0915855-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-05-19 EP disclosed
CN-1209124-A Novel compounds with analgesic effect ASTRA PHARMA INC (CA) 1999-02-24 CN disclosed
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 WO 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-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 KDM4E 1711/4885PKM 3146/4885GPR119 369/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY KDM4E 1570/4885PKM 2111/4885GPR119 2316/4885
US-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY KDM4E 1597/4885PKM 1247/4885GPR119 3037/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC KDM4E 1888/4885PKM 2165/4885GPR119 432/4885

“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.