SCHEMBL493414

SCHEMBL493414

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)NC2CCC(CN3CCCCC3c3ccccc3)CC2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.41
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
AVPR1A P37288 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 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
SCHEMBL493311 0.98 BDKRB1 (0.41) BDKRB1AVPR1A
SCHEMBL492598 0.85 ACLY (0.37) BDKRB1ALDH1A1GAASMN1; SMN2
SCHEMBL643969 0.84 AVPR1B (0.41) BDKRB1DRD2DRD3AVPR1A
SCHEMBL492977 0.83 BDKRB1 (0.36) BDKRB1ALDH1A1GAASMN1; SMN2
SCHEMBL493310 0.81 BDKRB1 (0.42) BDKRB1AVPR1A
SCHEMBL493412 0.81 BDKRB1 (0.42) BDKRB1AVPR1AGAASMN1; SMN2PKM
SCHEMBL492742 0.81 BDKRB1 (0.41) BDKRB1ALDH1A1GAASMN1; SMN2PKM
SCHEMBL3406699 0.80 BDKRB1 (0.40) BDKRB1AVPR1AGAASMN1; SMN2PKM
SCHEMBL492675 0.78 BDKRB1 (0.41) BDKRB1AVPR1AALDH1A1GAASMN1; SMN2
SCHEMBL493686 0.77 BDKRB1 (0.41) BDKRB1AVPR1A

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 1622/4885DRD2 3432/4885DRD3 3401/4885

“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.