SCHEMBL4508940

SCHEMBL4508940

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
MCHR1 Q99705 1/20 0.37
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
SCN5A Q14524 1/20 0.35
PGR P06401 2/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13674540 1.00 HSD11B1 (0.37) HSD11B1MCHR1ACVRL1ACVR1BMPR1B
SCHEMBL4528144 0.91 ACVRL1 (0.38) HSD11B1MCHR1ACVRL1ACVR1BMPR1B
SCHEMBL13674541 0.91 ACVRL1 (0.38) HSD11B1MCHR1ACVRL1ACVR1BMPR1B
SCHEMBL4517259 0.90 HSD11B1 (0.40) HSD11B1ACVRL1ACVR1BMPR1BBMPR1A
SCHEMBL13674534 0.90 HSD11B1 (0.40) HSD11B1ACVRL1ACVR1BMPR1BBMPR1A
SCHEMBL13675620 0.89 HSD11B1 (0.39) HSD11B1MCHR1PGRDPP4DPP8
SCHEMBL13674536 0.89 HRH3 (0.39) HSD11B1MCHR1ACVRL1ACVR1BMPR1B
SCHEMBL13674532 0.89 MCHR1 (0.39) HSD11B1MCHR1ACVRL1ACVR1BMPR1B
SCHEMBL5543774 0.89 HRH3 (0.39) HSD11B1MCHR1ACVRL1ACVR1BMPR1B
SCHEMBL4518383 0.89 MCHR1 (0.39) HSD11B1MCHR1ACVRL1ACVR1BMPR1B

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 2 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
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 1/4885MCHR1 2133/4885ACVRL1 3676/4885

“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.