SCHEMBL4515440

SCHEMBL4515440

COc1cc(Cl)c(CC2CCN(C3CCC(C)(O)CC3)C2=O)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
HSD11B1 P28845 3/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
FASN P49327 1/20 0.33
BTK Q06187 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HPGDS O60760 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP24A1 Q07973 1/20 0.32

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
SCHEMBL4510197 0.89 OPRM1 (0.39) FFAR4HSD11B1HTR2AFASNBTK
SCHEMBL13674485 0.89 OPRM1 (0.39) FFAR4HSD11B1HTR2AFASNBTK
SCHEMBL2994422 0.85 HSD11B1 (0.38) FFAR4HSD11B1HTR2AHTR2CHTR2B
SCHEMBL2997454 0.85 HSD11B1 (0.38) FFAR4HSD11B1HTR2AHTR2CHTR2B
SCHEMBL208406 0.85 HSD11B1 (0.51) HSD11B1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL474641 0.85 ALDH1A1 (0.38) FFAR4HSD11B1HTR2AHTR2CHTR2B
SCHEMBL4509440 0.84 HSD11B1 (0.44) HSD11B1ALDH1A1LMNASMN1; SMN2
SCHEMBL474782 0.84 HSD11B1 (0.39) FFAR4HSD11B1HTR2AHTR2CHTR2B
SCHEMBL474858 0.83 HSD11B1 (0.38) FFAR4HSD11B1HTR2AHTR2CHTR2B
SCHEMBL474859 0.83 HSD11B1 (0.38) FFAR4HSD11B1HTR2AHTR2CHTR2B

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 3 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
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 1012/4885HSD11B1 1/4885HTR2A 4228/4885

“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.