SCHEMBL2310294

SCHEMBL2310294

CN(C(=O)C(F)(F)F)C1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.47
TACR1 P25103 1/20 0.40
DRD3 P35462 2/20 0.40
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HTR2C P28335 5/20 0.38
HTR2A P28223 4/20 0.38
HTR2B P41595 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MMP8 P22894 2/20 0.35
MMP3 P08254 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
SCHEMBL4859756 0.78 NPY5R (0.55) NPY5RDRD3MTNR1AMTNR1BHTR2C
SCHEMBL14685832 0.77 NPY5R (0.50) NPY5RDRD3MTNR1AMTNR1BHTR2C
SCHEMBL12387508 0.76 MCHR1 (0.38) DRD3HTR2C
SCHEMBL2310619 0.76 ALDH1A1 (0.37) HTR2C
Hydrochloric Acid SCHEMBL2309049 0.75 MCHR1 (0.37) DRD3HTR2C
SCHEMBL5556488 0.75 NPY5R (0.49) NPY5RDRD3
SCHEMBL19384067 0.73 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2315501 0.73 MCHR1 (0.36) HTR2C
SCHEMBL4519708 0.72 CHRM2 (0.64) DRD3MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL14720161 0.70 RAB9A (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3

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 NPY5R 25/4885TACR1 51/4885DRD3 162/4885

“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.