SCHEMBL1836148

SCHEMBL1836148

O=C1COc2nccc(-c3c(O)cccc3F)c2CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.76
ADRB2 P07550 1/20 0.76
FPR1 P21462 1/20 0.76
GPR183 P32249 1/20 0.76
APLNR P35414 1/20 0.76
GLP1R P43220 1/20 0.76
GPR35 Q9HC97 1/20 0.76
GRM2 Q14416 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
RORC P51449 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
TACR1 P25103 8/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL1950377 0.94 GPBAR1 (0.82) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL1836862 0.87 GPBAR1 (0.81) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL1836176 0.86 GPBAR1 (1.00) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL1831526 0.85 GPBAR1 (0.72) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL1835619 0.85 ADRB2 (0.71) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL1833921 0.84 ADRB2 (0.75) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL1833517 0.83 GPBAR1 (0.70) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL1833669 0.82 GPBAR1 (0.79) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL1835115 0.82 GPBAR1 (0.81) GPBAR1ADRB2FPR1GPR183APLNR
SCHEMBL1839885 0.82 ADRB2 (0.75) GPBAR1ADRB2FPR1GPR183APLNR

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-20130281435-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-24 US disclosed
US-20110136788-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-09 US disclosed
EP-2322222-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME Takeda Pharmaceutical Company Limited (JP) 2011-05-18 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 (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-20110136788-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME GPBAR1, GPR35, GRPR GPBAR1 1/4885ADRB2 173/4885FPR1 363/4885
US-20130281435-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME GPBAR1, GPR35, GRPR GPBAR1 1/4885ADRB2 187/4885FPR1 426/4885

“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.