SCHEMBL1834658

SCHEMBL1834658

O=C1COc2nccc(-c3ccccc3)c2CN1Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
FPR1 P21462 1/20 0.54
GPR183 P32249 1/20 0.54
APLNR P35414 1/20 0.54
GLP1R P43220 1/20 0.54
GPBAR1 Q8TDU6 1/20 0.54
GPR35 Q9HC97 1/20 0.54
KMT2A Q03164 5/20 0.45
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 3/20 0.44
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.42
CMA1 P23946 1/20 0.41
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL1952769 0.83 ADRB2 (0.64) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1953463 0.83 ADRB2 (0.59) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1833669 0.81 GPBAR1 (0.79) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1838901 0.80 ADRB2 (0.56) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1833589 0.79 ADRB2 (0.55) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1839549 0.79 ADRB2 (0.51) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1840182 0.79 ADRB2 (0.54) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1833921 0.73 ADRB2 (0.75) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1836114 0.73 ADRB2 (0.68) ADRB2FPR1GPR183APLNRGLP1R
SCHEMBL1839885 0.72 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 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.