SCHEMBL4514162

SCHEMBL4514162

CC1(O)CCC(N2CCC(Cc3ccc(OCC4CC(=O)N(C5CCCCC5)C4)cc3Cl)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
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
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
P2RX7 Q99572 2/20 0.33
HPGD P15428 2/20 0.33
HTR5A P47898 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL4505225 0.88 HSP90AA1 (0.39) HSD11B1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4513450 0.83 HSD11B1 (0.48) HSD11B1HPGD
SCHEMBL13674485 0.82 OPRM1 (0.39) HSD11B1P2RX7ALDH1A1
SCHEMBL4510197 0.82 OPRM1 (0.39) HSD11B1P2RX7ALDH1A1
SCHEMBL4509399 0.81 MCL1 (0.39) HSD11B1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4514955 0.81 S1PR1 (0.40) HSD11B1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL14365295 0.81 PPARA (0.37) HSD11B1HPGDHSP90AA1HSP90AB1ALDH1A1
SCHEMBL13674552 0.81 ACVRL1 (0.36) HSD11B1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4506045 0.80 HRH3 (0.39) HSD11B1
SCHEMBL4512718 0.80 ALDH1A1 (0.36) HSD11B1BMPR1BBMPR1ATGFBR1ACVRL1

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
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US 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 1/4885BMPR1B 3003/4885BMPR1A 2912/4885

“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.