SCHEMBL4525019

SCHEMBL4525019

CC(C)Oc1ccc(CC2CCN(C3CCC(C)(O)CC3)C2=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.41
HTR2A P28223 8/20 0.40
HSD11B1 P28845 1/20 0.35
PTGDR Q13258 2/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA7 P36544 1/20 0.33

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
SCHEMBL14365233 0.92 FFAR4 (0.40) FFAR4HTR2AHSD11B1PTGDRHTR1A
SCHEMBL4510197 0.90 OPRM1 (0.39) FFAR4HTR2AHSD11B1HTR1ASLC6A4
SCHEMBL13674485 0.90 OPRM1 (0.39) FFAR4HTR2AHSD11B1HTR1ASLC6A4
SCHEMBL4523794 0.88 HPGD (0.39) FFAR4HTR2AHSD11B1
SCHEMBL4509399 0.88 MCL1 (0.39) FFAR4HSD11B1PTGDR
SCHEMBL4512718 0.86 ALDH1A1 (0.36) HSD11B1
SCHEMBL4505225 0.86 HSP90AA1 (0.39) HSD11B1HTR1ASLC6A4
SCHEMBL4525933 0.86 HSD11B1 (0.41) HSD11B1
SCHEMBL4514955 0.86 S1PR1 (0.40) FFAR4HSD11B1HTR1ASLC6A4
SCHEMBL13674510 0.85 ALDH1A1 (0.38)

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 4 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

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 FFAR4 1012/4885HTR2A 4228/4885HSD11B1 1/4885

“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.