SCHEMBL13428115

SCHEMBL13428115

CCOC(=O)Cc1cncc(-c2ccc(C(F)(F)F)cc2CN(Cc2ccccn2)C(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.45
DHFR P00374 2/20 0.39
CETP P11597 2/20 0.37
PTGDR2 Q9Y5Y4 7/20 0.37
TBXA2R P21731 2/20 0.37
PTGDR Q13258 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTGIR P43119 1/20 0.37
POLQ O75417 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1922931 0.90 PTGDR2 (0.41) GPBAR1DHFRCETPPTGDR2TBXA2R
SCHEMBL3370238 0.90 PTGDR2 (0.46) PTGDR2
SCHEMBL1923842 0.89 GPBAR1 (0.51) GPBAR1DHFRCETPPTGDR2TBXA2R
SCHEMBL13428498 0.89 GPBAR1 (0.51) GPBAR1PTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL16501930 0.89 TRPM8 (0.43) GPBAR1TRPM8ALDH1A1
SCHEMBL3433920 0.88 GPBAR1 (0.40) GPBAR1DHFRCETPPTGDR2TBXA2R
SCHEMBL3364482 0.85 SORT1 (0.40) GPBAR1DHFRPTGDR2ALDH1A1
SCHEMBL13428230 0.85 PTGDR2 (0.44) PTGDR2
SCHEMBL16509352 0.85 GPBAR1 (0.41) GPBAR1DHFRCETPPTGDR2TBXA2R
SCHEMBL13428248 0.85 GPBAR1 (0.42) GPBAR1DHFRCETPPTGDR2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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 (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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GPBAR1 32/4885DHFR 787/4885CETP 1845/4885

“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.