SCHEMBL15328769

SCHEMBL15328769

O=C(O)COc1cccc(-c2ccnc3c2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)CO3)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.64
FPR1 P21462 1/20 0.64
GPR183 P32249 1/20 0.64
APLNR P35414 1/20 0.64
GLP1R P43220 1/20 0.64
GPBAR1 Q8TDU6 1/20 0.64
GPR35 Q9HC97 1/20 0.64
PTGDR2 Q9Y5Y4 2/20 0.39
FABP4 P15090 7/20 0.37
FABP5 Q01469 2/20 0.37
S1PR1 P21453 1/20 0.37
FABP3 P05413 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
TACR1 P25103 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CASP1 P29466 1/20 0.35
CASP3 P42574 1/20 0.35
CASP9 P55211 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
SCHEMBL1834798 0.89 ADRB2 (0.67) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1833669 0.87 GPBAR1 (0.79) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1832908 0.86 GPBAR1 (0.72) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1835619 0.85 ADRB2 (0.71) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1833921 0.84 ADRB2 (0.75) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1835545 0.84 GPBAR1 (0.71) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1836114 0.82 ADRB2 (0.68) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1833517 0.82 GPBAR1 (0.70) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1845636 0.81 ADRB2 (0.64) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1839885 0.81 ADRB2 (0.75) ADRB2FPR1GPR183APLNRGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281435-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-24 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-20130281435-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME GPBAR1, GPR35, GRPR ADRB2 187/4885FPR1 426/4885GPR183 112/4885

“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.