SCHEMBL4517259

SCHEMBL4517259

CC1(O)CCC(N2CCC(Cc3ccc(-c4cccc(CO)c4)cc3Cl)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
ACVRL1 P37023 3/20 0.35
ACVR1 Q04771 3/20 0.35
BMPR1A P36894 2/20 0.35
BMPR1B O00238 1/20 0.35
TGFBR1 P36897 1/20 0.35
ABL1 P00519 1/20 0.32
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
ROCK2 O75116 1/20 0.32
NR1H2 P55055 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
USP7 Q93009 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL13674534 1.00 HSD11B1 (0.40) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL5543796 0.92 HSD11B1 (0.37) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL13674535 0.92 HSD11B1 (0.37) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL13675549 0.91 HSD11B1 (0.41) HSD11B1ABL1ROCK2NR1H2CYP2C9
SCHEMBL13674540 0.90 HSD11B1 (0.37) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL4508940 0.90 HSD11B1 (0.37) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL13674513 0.89 HSD11B1 (0.40) HSD11B1ACVRL1ACVR1BMPR1AOPRM1
SCHEMBL13674541 0.87 ACVRL1 (0.38) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL4528144 0.87 ACVRL1 (0.38) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL13674536 0.86 HRH3 (0.39) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B

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 claimed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP claimed
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 1/4885ACVRL1 3676/4885ACVR1 3346/4885

“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.