SCHEMBL4505225

SCHEMBL4505225

CC1(O)CCC(N2CCC(Cc3ccc(OCC4CC4)cc3Cl)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PPARA Q07869 2/20 0.36
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
PPARG P37231 1/20 0.34
ACACB O00763 2/20 0.33
PDK2 Q15119 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CNR2 P34972 1/20 0.33
GSK3B P49841 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
SCHEMBL14365295 0.92 PPARA (0.37) HSP90AA1HSP90AB1PPARAHSD11B1ALDH1A1
SCHEMBL13674485 0.89 OPRM1 (0.39) HSD11B1ALDH1A1HTR1ASLC6A4
SCHEMBL4510197 0.89 OPRM1 (0.39) HSD11B1ALDH1A1HTR1ASLC6A4
SCHEMBL4509399 0.89 MCL1 (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4514955 0.89 S1PR1 (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4514162 0.88 HSD11B1 (0.39) HSP90AA1HSP90AB1BMPR1BBMPR1ATGFBR1
SCHEMBL13674552 0.88 ACVRL1 (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4506045 0.87 HRH3 (0.39) HSD11B1
Hydrochloric Acid SCHEMBL4522836 0.87 ACVRL1 (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4512718 0.87 ALDH1A1 (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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 HSP90AA1 713/4885HSP90AB1 540/4885PPARA 690/4885

“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.