SCHEMBL751715

SCHEMBL751715

CC(C)[C@](C)(O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL754899 1.00 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL9927173 1.00 ALDH1A1 (0.39) ALDH1A1CYP2C19
SCHEMBL2575275 0.78 ALDH1A1 (0.50) ALDH1A1CYP2C19
SCHEMBL20919078 0.78 NR1H2 (0.30) ALDH1A1CYP2C19
SCHEMBL18098188 0.78 ALDH1A1 (0.30) ALDH1A1CYP2C19
SCHEMBL898973 0.76 ALDH1A1 (0.41) ALDH1A1CYP2C19
SCHEMBL6305976 0.76
SCHEMBL12146092 0.75 PDE2A (0.32)
SCHEMBL12364516 0.75
SCHEMBL1372560 0.75 PDE2A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116866-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 杭州多域生物技术有限公司 2023-06-29 WO disclosed
US-20220041621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-02-10 US disclosed
US-8772296-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-07-08 US disclosed
US-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
US-8404896-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed
US-8076376-B2 Aniline sulfonamide derivatives and their uses AMGEN INC. 2011-12-13 US disclosed
US-7825122-B2 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. (US) 2010-11-02 US disclosed
US-20100069447-A1 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC. 2010-03-18 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-7659287-B2 N-Benzyl-N-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide; modulating activity of hydroxysteroid dehydrogenases (HSDs), 11 beta-hydroxysteroid dehydrogenases,(also; 17 beta-, 20 alpha-, and 3 alpha-); antidiabetic agents;, obesity, glaucoma, osteoporosis, cognitive disorders; immunotherapy AMGEN INC. (US) 2010-02-09 US disclosed
US-7605289-B2 Benzamide derivatives and uses related thereto AMGEN, INC. (US) 2009-10-20 US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 US disclosed
US-20070299080-A1 N-Benzyl-N-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide; modulating activity of hydroxysteroid dehydrogenases (HSDs), 11 beta-hydroxysteroid dehydrogenases,(also; 17 beta-, 20 alpha-, and 3 alpha-); antidiabetic agents;, obesity, glaucoma, osteoporosis, cognitive disorders; immunotherapy AMGEN INC. 2007-12-27 US disclosed
US-20070299080-A1 N-Benzyl-N-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide; modulating activity of hydroxysteroid dehydrogenases (HSDs), 11 beta-hydroxysteroid dehydrogenases,(also; 17 beta-, 20 alpha-, and 3 alpha-); antidiabetic agents;, obesity, glaucoma, osteoporosis, cognitive disorders; immunotherapy AMGEN INC. 2007-12-27 US disclosed
US-20070299111-A1 N-Benzyl-N-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide; modulating activity of hydroxysteroid dehydrogenases (HSDs), 11 beta-hydroxysteroid dehydrogenases,(also; 17 beta-, 20 alpha-, and 3 alpha-); antidiabetic agents;, obesity, glaucoma, osteoporosis, cognitive disorders; immunotherapy AMGEN INC. 2007-12-27 US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 US disclosed
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. 2007-07-26 US disclosed
US-20070021502-A1 Aniline sulfonamide derivatives and their uses AMGEN INC. 2007-01-25 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 (9 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-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses GLP1R, GPR119, INSR ALDH1A1 469/4885CYP2C19 361/4885
US-20070299111-A1 N-Benzyl-N-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide; modulating activity of hydroxysteroid dehydrogenases (HSDs), 11 beta-hydroxysteroid dehydrogenases,(also; 17 beta-, 20 alpha-, and 3 alpha-); antidiabetic agents;, obesity, glaucoma, osteoporosis, cognitive disorders; immunotherapy HSD17B1, HSD3B1, HSD11B1 ALDH1A1 254/4885CYP2C19 314/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 ALDH1A1 1722/4885CYP2C19 941/4885
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES GPR119, GLP1R, INSR ALDH1A1 655/4885CYP2C19 354/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR ALDH1A1 655/4885CYP2C19 354/4885
US-20070021502-A1 Aniline sulfonamide derivatives and their uses ARSA, SULT2A1, SULT1A1 ALDH1A1 163/4885CYP2C19 296/4885
US-20220041621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALDH1A1 3972/4885CYP2C19 4680/4885
US-20070299080-A1 N-Benzyl-N-methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide; modulating activity of hydroxysteroid dehydrogenases (HSDs), 11 beta-hydroxysteroid dehydrogenases,(also; 17 beta-, 20 alpha-, and 3 alpha-); antidiabetic agents;, obesity, glaucoma, osteoporosis, cognitive disorders; immunotherapy HSD3B1, HSD17B1, HSD3B2 ALDH1A1 330/4885CYP2C19 322/4885
US-20100069447-A1 BENZAMIDE DERIVATIVES AND USES RELATED THERETO GPR119, GLP1R, UGT2B7 ALDH1A1 138/4885CYP2C19 105/4885

“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.