SCHEMBL17449709

SCHEMBL17449709

COc1ccc(OC(F)(F)F)cc1CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.54
GAA P10253 1/20 0.50
TACR1 P25103 8/20 0.47
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2B Q13224 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL5018773 0.88 APLNR (0.42) HTR2AGAATACR1GRIN2B
SCHEMBL3202940 0.84 TACR1 (0.46) HTR2ATACR1HCRTR1HCRTR2CYP2D6
SCHEMBL4960829 0.83 HTR2A (0.74) HTR2AGAACYP2D6ADRA1ATAAR1
SCHEMBL22220774 0.82 HCRTR1 (0.49) HTR2ATACR1HCRTR1HCRTR2CYP2D6
SCHEMBL13197063 0.81 CXCR2 (0.46) GAATACR1PPARGPPARDPPARA
SCHEMBL4638450 0.81 GRIN2B (0.46) HTR2ATACR1HCRTR1HCRTR2CYP2D6
SCHEMBL16892229 0.81 IDO1 (0.51) HTR2ATACR1HCRTR1HCRTR2CYP2D6
SCHEMBL17449711 0.81 PDE2A (0.44) SLC6A3
SCHEMBL3205585 0.81 HCRTR1 (0.46) HTR2ATACR1HCRTR1HCRTR2CYP2D6
SCHEMBL15173398 0.81 ADRA1A (0.51) HTR2ATACR1HCRTR1HCRTR2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 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 (1 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-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 HTR2A 320/4885GAA 3782/4885TACR1 104/4885

“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.