SCHEMBL17034856

SCHEMBL17034856

CC(C)c1cc(Cl)cc2c1OC(C)(C)C2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
FFAR4 Q5NUL3 10/20 0.42
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSA P10619 1/20 0.30
DHFR P00374 1/20 0.30
EZH2 Q15910 1/20 0.30

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
SCHEMBL28823607 0.87 HTR2A (0.47) HTR2AFFAR4GABRA1GABRB1PKM
SCHEMBL14818404 0.85 HTR2A (0.48) HTR2AFFAR4GABRA1GABRB1PKM
SCHEMBL17449704 0.78 HTR2A (0.50) HTR2AFFAR4PKMNPSR1CTSA
SCHEMBL18768202 0.77 HTR2A (0.52) HTR2AFFAR4PKMNPSR1DHFR
SCHEMBL1007650 0.76 HTR2A (0.55) HTR2AFFAR4PKMNPSR1DHFR
SCHEMBL4750485 0.76 HTR2A (0.51) HTR2AFFAR4PKMNPSR1
SCHEMBL1005341 0.76 HTR2A (0.51) HTR2AFFAR4PKMNPSR1DHFR
SCHEMBL16111306 0.75 HTR2A (0.55) HTR2AFFAR4PKMNPSR1CTSA
SCHEMBL2439246 0.73 HTR2A (0.52) HTR2AFFAR4PKMNPSR1CTSA
SCHEMBL16483443 0.73 HTR2A (0.52) HTR2AFFAR4PKMNPSR1CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906542-B1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9708270-B2 Substituted spiropiperidinyl compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
WO-2015125786-A1 AMINOPYRAZOLONE DERIVATIVE 第一三共株式会社 2015-08-27 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 (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-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR180, GPR88 HTR2A 424/4885FFAR4 27/4885GABRA1 491/4885
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL HTR2A 3841/4885FFAR4 3786/4885GABRA1 2708/4885

“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.