SCHEMBL4518204

SCHEMBL4518204

CC(=O)c1ccc(-c2ccc(CC3CCN(C4CCC(C)(O)CC4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 4/20 0.38
ACVR1 Q04771 4/20 0.38
BMPR1A P36894 3/20 0.38
BMPR1B O00238 2/20 0.38
TGFBR1 P36897 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 1/20 0.34
P2RX7 Q99572 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ROCK2 O75116 1/20 0.33
HSD17B1 P14061 1/20 0.33
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 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
SCHEMBL13674537 1.00 ACVRL1 (0.38) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL5543774 0.92 HRH3 (0.39) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL13674536 0.92 HRH3 (0.39) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL13674539 0.92 ACVRL1 (0.39) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL4528145 0.92 ACVRL1 (0.39) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL13675572 0.91 KMT2A (0.35) KMT2AMEN1NPSR1HSD11B1KDM4E
SCHEMBL13674541 0.90 ACVRL1 (0.38) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL4528144 0.90 ACVRL1 (0.38) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL13674531 0.88 BMPR1B (0.38) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL4528168 0.88 BMPR1B (0.38) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1

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 ACVRL1 3676/4885ACVR1 3346/4885BMPR1A 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.