SCHEMBL2474940

SCHEMBL2474940

Cc1cc2c(cc1C(F)(F)F)N(C(=O)O)CCCC2O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.35
AVPR1A P37288 9/20 0.35
ABCB11 O95342 1/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35
GLP1R P43220 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
RBP4 P02753 2/20 0.34
SLC9A1 P19634 1/20 0.34
KCNH2 Q12809 1/20 0.34
OXTR P30559 2/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL2478236 0.86 SLC9A1 (0.36) HTR2CRBP4SLC9A1KCNH2HCRTR1
SCHEMBL2479682 0.85 LMNA (0.36) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL2479681 0.85 LMNA (0.36) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL2478158 0.74 PDK1 (0.34) HTR2CGAA
SCHEMBL3021643 0.73 TACR1 (0.36)
SCHEMBL8525356 0.73 HTR2C (0.48) HTR2C
SCHEMBL2478788 0.72 KDM1A (0.38) GPR119SLC9A1KCNH2HCRTR1NPSR1
SCHEMBL2475935 0.71 EPHX2 (0.40) GPR119KDM4EALDH1A1GAAPROKR1
SCHEMBL2477839 0.65 SSTR5 (0.32) HTR2C
SCHEMBL5714666 0.62 CTSD (0.38) KDM4EALDH1A1GAATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479175-A1 Compounds and methods for treating dyslipidemia Eli Lilly and Company (US) 2012-07-25 EP disclosed
EP-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed
US-7786108-B2 Compounds and method for treating dyslipidemia ELI LILLY AND COMPANY (US) 2010-08-31 US disclosed
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia CHEN XINCHAO 2010-08-12 US disclosed
US-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis ELI LILLY AND COMPANY 2007-10-18 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 (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-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis CETP, APOB, MTTP AVPR2 4872/4885AVPR1A 4839/4885ABCB11 146/4885
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia APOB, LIPC, PCSK9 AVPR2 1575/4885AVPR1A 1292/4885ABCB11 165/4885

“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.