SCHEMBL493517

SCHEMBL493517

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(Cc3ccccc3N(C)C)CC2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.41
AVPR1B P47901 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.36

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
SCHEMBL492742 0.91 BDKRB1 (0.41) BDKRB1
SCHEMBL493144 0.84 BDKRB1 (0.40) BDKRB1AVPR1BHPGD
SCHEMBL493518 0.84 PTGIR (0.36) BDKRB1
SCHEMBL492872 0.83 AVPR1B (0.40) BDKRB1AVPR1B
SCHEMBL3665067 0.80 KMT2A (0.42)
SCHEMBL492502 0.80 BDKRB1 (0.39) BDKRB1
SCHEMBL493122 0.80 AVPR1A (0.40) BDKRB1EPHX2
SCHEMBL645572 0.80 AVPR1B (0.45) BDKRB1AVPR1BEPHX2
SCHEMBL492956 0.80 BDKRB1 (0.38) BDKRB1AVPR1B
SCHEMBL493601 0.76 AVPR1B (0.37) BDKRB1AVPR1BHPGDEPHX2

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD BDKRB1 1622/4885AVPR1B 780/4885HPGD 213/4885

“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.