SCHEMBL838555

SCHEMBL838555

CCOC(=O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 1/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.45

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
SCHEMBL12868073 0.86 KMT2A (0.54) CA12CA1CA2CA7CA9
SCHEMBL28657953 0.84 KCNQ3 (0.53) KDM4EGAAHPGDALDH1A1NPC1
SCHEMBL13720824 0.84 TSHR (0.53) LMNAKDM4EGAAKMT2AALDH1A1
SCHEMBL8360615 0.84 MLYCD (0.46) GAAALDH1A1MAPT
Ethyl Nicotinate SCHEMBL29126551 0.82 ALDH1A1 (0.54) LMNAKDM4EKMT2AHPGDALDH1A1
SCHEMBL10276146 0.82 NPC1 (0.46) CYP1A2KDM4EGAAKMT2AHPGD
SCHEMBL1317978 0.82 MAPK1 (0.59) CA12CA1CA2CA7CA9
Ethyl Nicotinate SCHEMBL29126564 0.82 ALDH1A1 (0.53) LMNACYP1A2CYP3A4KDM4EGAA
SCHEMBL27795045 0.81 POLB (0.43) GAANPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL3590555 0.80 KCNQ3 (0.40) KDM4EGAAHPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025054431-A1 BENZO-FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS INC. (CA) 2025-03-13 WO disclosed
CN-117355517-A Macrocyclic glucagon-like peptide 1 receptor agonists 伊莱利利公司 2024-01-05 CN disclosed
US-20230121721-A1 MONOACYLGLYCEROL LIPASE INHIBITORS STICHTING HET NEDERLANDS KANKER INST ANTONI VAN LEEUWENHOEK ZIEKENHUIS (NL) 2023-04-20 US disclosed
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
EP-4114829-A1 MONOACYLGLYCEROL LIPASE INHIBITORS Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis (NL) 2023-01-11 EP disclosed
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-01-25 US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
EP-3875452-A1 MONOACYLGLYCEROL LIPASE INHIBITORS Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis (NL) 2021-09-08 EP disclosed
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-03-09 US disclosed
US-20090275618-A1 1, 5-DIPHENYL-3-BENZYLAMINO-1, 5-DIHYDROPYRROLIDIN-2-ONE AS CB1 RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-11-05 US disclosed
US-20090275618-A1 1, 5-DIPHENYL-3-BENZYLAMINO-1, 5-DIHYDROPYRROLIDIN-2-ONE AS CB1 RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-11-05 US disclosed
EP-2099784-A2 1,5-DIPHENYL-3-PYRIDINYLAMINO-1,5-DIHYDRIOYRROLIDIN-2-ONES AS CB1 RECEPTOR MODULATORS Eli Lilly & Company (US) 2009-09-16 EP disclosed
EP-2094684-A2 1,5-DIPHENYL-3-BENZYLAMINO-1,5-DIHYDROPYRROLIDIN 2-ONES AS CB1 RECEPTOR MODULATORS Eli Lilly & Company (US) 2009-09-02 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO disclosed
WO-2008070305-A2 1, 5-DIPHENYL-3-PYRIDINYLAMINO-1, 5-DIHYDROPYRROLIDIN-2-ONE AS CBL' RECEPTOR MODULATOR ELI LILLY AND COMPANY (US) 2008-06-12 WO disclosed
WO-2008070305-A2 1, 5-DIPHENYL-3-PYRIDINYLAMINO-1, 5-DIHYDROPYRROLIDIN-2-ONE AS CBL' RECEPTOR MODULATOR ELI LILLY AND COMPANY (US) 2008-06-12 WO disclosed
WO-2008070306-A2 1,5-DIPHENYL-3-BENZYLAMIN0-1,5-DIHYDR0PYRR0LIDIN-2-0NE AS CB1 RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-06-12 WO disclosed
WO-2008070306-A2 1,5-DIPHENYL-3-BENZYLAMIN0-1,5-DIHYDR0PYRR0LIDIN-2-0NE AS CB1 RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-06-12 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 (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-20230121721-A1 MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPA CA12 3793/4885CA1 3413/4885CA2 2182/4885
US-20090275618-A1 1, 5-DIPHENYL-3-BENZYLAMINO-1, 5-DIHYDROPYRROLIDIN-2-ONE AS CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR55 CA12 4560/4885CA1 3412/4885CA2 3985/4885
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof REN, ATP6V1B1, GLS CA12 4794/4885CA1 4867/4885CA2 4613/4885
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents DDT, TST, SCLY CA12 4305/4885CA1 2366/4885CA2 1839/4885
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents GSTA1, CYP1B1, DDT CA12 3258/4885CA1 1091/4885CA2 1157/4885
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R CA12 4871/4885CA1 4778/4885CA2 4343/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS CA12 4794/4885CA1 4867/4885CA2 4613/4885

“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.