SCHEMBL2315501

SCHEMBL2315501

CN(C(=O)C(F)(F)F)C1Cc2ccc(C(=O)CN(C=O)C=O)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.36
KCNH2 Q12809 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HTR2C P28335 1/20 0.33
PARP1 P09874 1/20 0.31

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
SCHEMBL2310619 0.83 ALDH1A1 (0.37) MCHR1KCNH2HTR2C
SCHEMBL12387508 0.83 MCHR1 (0.38) MCHR1KCNH2HTR2C
Hydrochloric Acid SCHEMBL2309049 0.82 MCHR1 (0.37) MCHR1KCNH2HTR2C
SCHEMBL2310294 0.73 NPY5R (0.47) HTR2C
SCHEMBL2314439 0.70 ESR1 (0.47) MCHR1
SCHEMBL2315305 0.69 ALDH1A1 (0.43)
SCHEMBL12432186 0.68 ALDH1A1 (0.38) MCHR1KCNH2HTR2C
SCHEMBL13988036 0.64 HSD17B3 (0.44) MCHR1
SCHEMBL13987235 0.64 MCHR1 (0.40) MCHR1
SCHEMBL7820637 0.60 TSHR (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1876179-B1 Thienopyrimidone compounds TAKEDA PHARMACEUTICAL (JP) 2015-03-25 EP disclosed
EP-1876179-B1 Thienopyrimidone compounds TAKEDA PHARMACEUTICAL (JP) 2015-03-25 EP disclosed
US-7989445-B2 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-02 US disclosed
US-7989445-B2 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-02 US disclosed
US-7989445-B2 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-02 US disclosed
US-20100069362-A1 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-20100069362-A1 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-20100069362-A1 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
EP-1876179-A1 THIENOPYRIMIDONE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
EP-1876179-A1 THIENOPYRIMIDONE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-09 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 (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-20100069362-A1 Thienopyrimidone compound MC1R, MC2R, MC5R MCHR1 6/4885KCNH2 3267/4885ITGB3 2988/4885

“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.