SCHEMBL4500218

SCHEMBL4500218

COc1ccccc1CC1CCN([C@H](C)c2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
TACR1 P25103 12/20 0.45
CACNA1F O60840 1/20 0.43
CHRM5 P08912 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
GPR65 Q8IYL9 1/20 0.43

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
SCHEMBL14177570 1.00 CYP2D6 (0.47) CYP2D6TACR1CACNA1FCHRM5CACNA1D
SCHEMBL14177610 1.00 CYP2D6 (0.47) CYP2D6TACR1CACNA1FCHRM5CACNA1D
SCHEMBL14177611 1.00 CYP2D6 (0.47) CYP2D6TACR1CACNA1FCHRM5CACNA1D
SCHEMBL14177576 1.00 CYP2D6 (0.47) CYP2D6TACR1CACNA1FCHRM5CACNA1D
SCHEMBL14177693 0.88 TACR1 (0.42) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL14177692 0.88 TACR1 (0.42) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL14177632 0.84 CYP26A1 (0.45) CYP2D6TACR1
SCHEMBL4509005 0.84 CYP26A1 (0.45) CYP2D6TACR1
SCHEMBL5124798 0.84 CYP26A1 (0.45) CYP2D6TACR1
SCHEMBL14177563 0.84 CYP26A1 (0.45) CYP2D6TACR1

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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 (1 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 CYP2D6 469/4885TACR1 857/4885CACNA1F 2223/4885

“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.