SCHEMBL2692186

SCHEMBL2692186

CC(F)(F)c1cccc(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
HTR2C P28335 1/20 0.44
ACP3 P15309 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ENPP2 Q13822 1/20 0.42
RXRA P19793 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
IDO1 P14902 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL23343817 0.85 TAAR1 (0.49) PDK2HTR2AHTR2BHTR2CACP3
SCHEMBL27957352 0.83 ESR1 (0.50) PDK1PDK2PDK3PDK4PRKCA
SCHEMBL2257 0.83 TAAR1 (0.60) PRKCAPRKCDHTR2AHTR2BHTR2C
SCHEMBL17805427 0.83 HTR2A (0.47) HTR2AHTR2BHTR2CACP3TAAR1
SCHEMBL30484278 0.83 IKBKB (0.50) PDK1PDK2PDK3PDK4PRKCA
SCHEMBL2600025 0.83 IKBKB (0.50) PDK1PDK2PDK3PDK4PRKCA
SCHEMBL17682238 0.83 PDK1 (0.50) PDK1PDK2PDK3PDK4PRKCA
Alcohol SCHEMBL29251271 0.82 HTR2A (0.56) PRKCAPRKCDHTR2AHTR2BHTR2C
SCHEMBL2636462 0.82 PDK1 (0.44) PDK1PDK2PDK3PDK4PRKCA
SCHEMBL27370336 0.82 TAAR1 (0.58) PRKCAPRKCDHTR2AHTR2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168659-B2 1, 5-diphenyl-3-benzylamino-1, 5-dihydropyrrolidin-2-one as CB1 receptor modulators ELI LILLY AND COMPANY (US) 2012-05-01 US disclosed
US-8168659-B2 1, 5-diphenyl-3-benzylamino-1, 5-dihydropyrrolidin-2-one as CB1 receptor modulators ELI LILLY AND COMPANY (US) 2012-05-01 US disclosed
US-8168659-B2 1, 5-diphenyl-3-benzylamino-1, 5-dihydropyrrolidin-2-one as CB1 receptor modulators ELI LILLY AND COMPANY (US) 2012-05-01 US disclosed
EP-2094684-B1 1,5-DIPHENYL-3-BENZYLAMINO-1,5-DIHYDROPYRROLIDIN 2-ONES AS CB1 RECEPTOR MODULATORS LILLY CO ELI (US) 2010-12-22 EP disclosed
EP-2094684-B1 1,5-DIPHENYL-3-BENZYLAMINO-1,5-DIHYDROPYRROLIDIN 2-ONES AS CB1 RECEPTOR MODULATORS LILLY CO ELI (US) 2010-12-22 EP 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
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-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
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
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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 (2 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP PDK1 2222/4885PDK2 3936/4885PDK3 3815/4885
US-20090275618-A1 1, 5-DIPHENYL-3-BENZYLAMINO-1, 5-DIHYDROPYRROLIDIN-2-ONE AS CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR55 PDK1 3400/4885PDK2 3010/4885PDK3 2989/4885

“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.