SCHEMBL718542

SCHEMBL718542

COc1ccc2oc(C(=O)N(C)OC)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.61
TAS1R3 Q7RTX0 9/20 0.56
TAS1R1 Q7RTX1 9/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA3 P07451 1/20 0.52
HPGD P15428 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
FLT3 P36888 1/20 0.51
CLK1 P49759 1/20 0.51
DYRK1A Q13627 1/20 0.51

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
SCHEMBL9256072 0.90 CYP2D6 (0.60) OXTRTAS1R3TAS1R1TRPM8KDM4E
SCHEMBL31060243 0.83 FLT3 (0.71) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL12095319 0.82 ALDH1A1 (0.61) KDM4EALDH1A1HPGDFLT3
SCHEMBL5806070 0.81 TAS1R3 (0.62) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL1287553 0.81 KDM4E (0.66) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL29527237 0.81 KDM4E (0.66) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL335319 0.81 KDM4E (0.66) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL446971 0.80 TAS1R3 (0.64) TAS1R3TAS1R1KDM4EALDH1A1CA2
Hydrochloric Acid SCHEMBL11498190 0.80 KDM4E (0.64) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL8311483 0.80 TAS1R3 (0.60) OXTRTAS1R3TAS1R1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220133698-A1 a-SYNUCLEIN AGGREGATE BINDING AGENT AND IMAGING METHOD NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2022-05-05 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP OXTR 2039/4885TAS1R3 2984/4885TAS1R1 2620/4885
US-20220133698-A1 a-SYNUCLEIN AGGREGATE BINDING AGENT AND IMAGING METHOD SNCA, HTT, PARK7 OXTR 2472/4885TAS1R3 754/4885TAS1R1 1197/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP OXTR 2039/4885TAS1R3 2984/4885TAS1R1 2620/4885

“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.