SCHEMBL4518872

SCHEMBL4518872

COc1ccccc1CC1CCN(C2(c3ccccc3)CC2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
CHRM3 P20309 1/20 0.46
CYP24A1 Q07973 3/20 0.41
CYP27A1 Q02318 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TACR1 P25103 2/20 0.41
KCNH2 Q12809 1/20 0.41
CYP26A1 O43174 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL4509712 0.79 CYP2D6 (0.47) CYP2D6USP2HSD17B10ALDH1A1CMA1
SCHEMBL14177629 0.76 OPRK1 (0.50) CYP2D6USP2HSD17B10SMN1; SMN2CMA1
SCHEMBL4502450 0.76 OPRM1 (0.39) CHRM3TACR1KCNH2OPRM1OPRL1
SCHEMBL14365268 0.74 CYP2D6 (0.41) CYP2D6USP2HSD17B10SMN1; SMN2MEN1
SCHEMBL14177570 0.74 CYP2D6 (0.47) CYP2D6TACR1
SCHEMBL14177611 0.74 CYP2D6 (0.47) CYP2D6TACR1
SCHEMBL14177606 0.74 KCNH2 (0.53) CYP2D6CYP24A1KCNH2
SCHEMBL4500218 0.74 CYP2D6 (0.47) CYP2D6TACR1
SCHEMBL4514533 0.74 CYP2D6 (0.47) CYP2D6CYP24A1CYP27A1USP2HSD17B10
SCHEMBL14177610 0.74 CYP2D6 (0.47) 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 469/4885CHRM3 4537/4885CYP24A1 54/4885

“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.