SCHEMBL1836070

SCHEMBL1836070

Cc1ccc(-c2ccnc3c2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)CO3)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.70
FPR1 P21462 1/20 0.70
GPR183 P32249 1/20 0.70
APLNR P35414 1/20 0.70
GLP1R P43220 1/20 0.70
GPBAR1 Q8TDU6 1/20 0.70
GPR35 Q9HC97 1/20 0.70
TACR1 P25103 12/20 0.43
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CYP2D6 P10635 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL1839885 0.91 ADRB2 (0.75) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1833517 0.90 GPBAR1 (0.70) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1834928 0.90 GPBAR1 (0.70) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1837171 0.90 ADRB2 (0.70) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1833669 0.90 GPBAR1 (0.79) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1835371 0.90 GPBAR1 (0.67) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1953061 0.89 ADRB2 (0.66) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1845636 0.87 ADRB2 (0.64) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1834621 0.87 ADRB2 (0.63) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1834186 0.86 GPBAR1 (0.70) 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 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 ADRB2 173/4885FPR1 363/4885GPR183 110/4885
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.