SCHEMBL5547531

SCHEMBL5547531

CC1(O)CCC(N2CCC(Cc3ccc(OCCOCc4ccccc4)cc3Cl)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
S1PR1 P21453 2/20 0.39
S1PR5 Q9H228 2/20 0.39
PRKX P51817 1/20 0.39
ACVR1 Q04771 1/20 0.39
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
FFAR1 O14842 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
KIT P10721 6/20 0.34
FLT3 P36888 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
AOC3 Q16853 1/20 0.33
PIM1 P11309 1/20 0.33
PDGFRA P16234 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
SCHEMBL14365235 0.93 HSD11B1 (0.41) HSD11B1S1PR1S1PR5PRKXACVR1
SCHEMBL4499324 0.88 HSD11B1 (0.54) HSD11B1S1PR1S1PR5PRKXACVR1
SCHEMBL4510560 0.87 HSD11B1 (0.41) HSD11B1S1PR1S1PR5PRKXACVR1
SCHEMBL4514955 0.86 S1PR1 (0.40) HSD11B1S1PR1ACVR1OPRM1OPRK1
SCHEMBL13674552 0.85 ACVRL1 (0.36) HSD11B1S1PR1ACVR1OPRM1OPRK1
SCHEMBL4523794 0.85 HPGD (0.39) HSD11B1S1PR1ACVR1OPRM1FFAR1
SCHEMBL4508467 0.85 S1PR1 (0.37) HSD11B1S1PR1S1PR5PRKXACVR1
Hydrochloric Acid SCHEMBL4522836 0.85 ACVRL1 (0.36) HSD11B1S1PR1ACVR1OPRM1OPRK1
SCHEMBL4513272 0.85 HSD11B1 (0.54) HSD11B1S1PR1S1PR5PRKXACVR1
SCHEMBL4509399 0.84 MCL1 (0.39) HSD11B1ACVR1FFAR1FFAR4

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 HSD11B1 1/4885S1PR1 521/4885S1PR5 823/4885

“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.