SCHEMBL4510197

SCHEMBL4510197

COc1ccc(CC2CCN(C3CCC(C)(O)CC3)C2=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
BTK Q06187 1/20 0.38
HSD11B1 P28845 2/20 0.37
P2RX7 Q99572 2/20 0.37
CYP24A1 Q07973 3/20 0.35
CYP27A1 Q02318 2/20 0.35
HTR2A P28223 2/20 0.35
CYP26A1 O43174 1/20 0.34
FASN P49327 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL13674485 1.00 OPRM1 (0.39) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL4525019 0.90 FFAR4 (0.41) HTR1ASLC6A4FFAR4HSD11B1HTR2A
SCHEMBL4515440 0.89 FFAR4 (0.37) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL4505225 0.89 HSP90AA1 (0.39) HTR1ASLC6A4HSD11B1ALDH1A1
SCHEMBL4525933 0.89 HSD11B1 (0.41) OPRM1OPRD1OPRK1BTKHSD11B1
SCHEMBL4514955 0.89 S1PR1 (0.40) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL4509399 0.89 MCL1 (0.39) FFAR4HSD11B1ALDH1A1
SCHEMBL13674510 0.89 ALDH1A1 (0.38) BTKP2RX7ALDH1A1MAPT
SCHEMBL13674552 0.88 ACVRL1 (0.36) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL3001587 0.88 P2RX7 (0.42) HSD11B1P2RX7

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 OPRM1 3446/4885OPRD1 2377/4885OPRK1 3019/4885

“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.