SCHEMBL4508532

SCHEMBL4508532

CC(=O)Nc1ccccc1-c1ccc(CC2CCN(C3CCC(C)(O)CC3)C2=O)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.40
OTUD7B Q6GQQ9 2/20 0.39
HSD11B1 P28845 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 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
SCHEMBL13674529 1.00 CHRM3 (0.40) CHRM3OTUD7BHSD11B1BMPR1BBMPR1A
SCHEMBL4528168 0.86 BMPR1B (0.38) OTUD7BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13674531 0.86 BMPR1B (0.38) OTUD7BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4515579 0.86 AVPR1A (0.43) OTUD7BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13674530 0.86 AVPR1A (0.43) OTUD7BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL5548898 0.84 RORC (0.39) HSD11B1ALDH1A1
SCHEMBL4518204 0.82 ACVRL1 (0.38) HSD11B1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13674537 0.82 ACVRL1 (0.38) HSD11B1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4528144 0.81 ACVRL1 (0.38) HSD11B1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13674541 0.81 ACVRL1 (0.38) 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 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 CHRM3 4537/4885OTUD7B 2845/4885HSD11B1 1/4885

“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.