SCHEMBL1835116

SCHEMBL1835116

Fc1ccc(-c2ccnc3c2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
FPR1 P21462 1/20 0.48
GPR183 P32249 1/20 0.48
APLNR P35414 1/20 0.48
GLP1R P43220 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
GPR35 Q9HC97 1/20 0.48
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
TACR1 P25103 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RPS6KB1 P23443 1/20 0.35
GRM2 Q14416 2/20 0.35
NR1I2 O75469 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 3/20 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
SCHEMBL1837939 0.94 ADRB2 (0.47) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1835835 0.93 ADRB2 (0.47) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1833151 0.91 GPBAR1 (0.46) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1951653 0.91 GPBAR1 (0.52) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1953107 0.89 ADRB2 (0.51) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1838344 0.85 GPBAR1 (0.44) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1834917 0.85 GPBAR1 (0.55) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1834172 0.85 GPBAR1 (0.67) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1839636 0.84 GPBAR1 (0.49) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1835421 0.84 ADRB2 (0.49) 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 6 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
US-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 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 (3 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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 ADRB2 67/4885FPR1 538/4885GPR183 40/4885
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.