SCHEMBL13675573

SCHEMBL13675573

O=Cc1cccc(-c2ccc(CC3CCN(C4CCC5(CC4)CC5)C3=O)c(Cl)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.37
HSD11B1 P28845 1/20 0.36
ROCK2 O75116 2/20 0.33
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL13674532 0.90 MCHR1 (0.39) MCHR1HSD11B1ROCK2TRIM24TRIM33
SCHEMBL4518383 0.90 MCHR1 (0.39) MCHR1HSD11B1ROCK2TRIM24TRIM33
SCHEMBL13675620 0.88 HSD11B1 (0.39) MCHR1HSD11B1ROCK2
SCHEMBL13675467 0.85 HSD11B1 (0.39) MCHR1HSD11B1ROCK2
SCHEMBL13675549 0.85 HSD11B1 (0.41) HSD11B1ROCK2
SCHEMBL13675523 0.83 DPP4 (0.37) HSD11B1
SCHEMBL13675465 0.81 AVPR1A (0.42) MCHR1
SCHEMBL13674533 0.81 ACVRL1 (0.36) MCHR1HSD11B1ROCK2
SCHEMBL4516016 0.81 ACVRL1 (0.36) MCHR1HSD11B1ROCK2
SCHEMBL13675572 0.80 KMT2A (0.35) HSD11B1ROCK2

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 1 patent. 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

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 MCHR1 2133/4885HSD11B1 1/4885ROCK2 2463/4885

“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.