SCHEMBL643969

SCHEMBL643969

COc1cc(C)c(S(=O)(=O)N(C)CCCNC(=O)NC2CCC(CN3CCCC3c3ccccc3)CC2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.41
AVPR1A P37288 5/20 0.37
DRD2 P14416 5/20 0.35
DRD3 P35462 5/20 0.35
BDKRB1 P46663 1/20 0.34
HTR6 P50406 1/20 0.34
EPHX2 P34913 1/20 0.33

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 0.86 BDKRB1 (0.41) AVPR1ABDKRB1
SCHEMBL493414 0.84 BDKRB1 (0.41) AVPR1ADRD2DRD3BDKRB1
SCHEMBL645572 0.81 AVPR1B (0.45) AVPR1BAVPR1ABDKRB1EPHX2
SCHEMBL643968 0.80 AVPR1B (0.43) AVPR1BAVPR1ABDKRB1HTR6
SCHEMBL645571 0.79 AVPR1B (0.46) AVPR1BAVPR1A
SCHEMBL642950 0.72 AVPR1B (0.45) AVPR1BAVPR1A
SCHEMBL24011599 0.71 NPC1 (0.58)
SCHEMBL492977 0.70 BDKRB1 (0.36) BDKRB1
SCHEMBL643095 0.70 AVPR1B (0.48) AVPR1BAVPR1ABDKRB1HTR6
SCHEMBL2492035 0.69 AVPR1B (0.46) AVPR1BAVPR1ABDKRB1HTR6

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-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A AVPR1B 878/4885AVPR1A 1096/4885DRD2 4317/4885

“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.