SCHEMBL493431

SCHEMBL493431

CN(C)C(c1ccc(F)cc1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.38
SLC9A3 P48764 2/20 0.33
KMT2A Q03164 1/20 0.33
OPRL1 P41146 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PTGIR P43119 1/20 0.31
CHRM4 P08173 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
SCHEMBL493893 0.94 BDKRB1 (0.39) BDKRB1SLC9A3KMT2APTGIR
SCHEMBL493047 0.93 BDKRB1 (0.37) BDKRB1SLC9A3KMT2AOPRL1
SCHEMBL492894 0.92 BDKRB1 (0.37) BDKRB1SLC9A3OPRL1NR1H4
SCHEMBL493135 0.92 BDKRB1 (0.39) BDKRB1KMT2ATP53POLBTDP1
SCHEMBL493345 0.89 KMT2A (0.39) BDKRB1KMT2APOLBHPGDHTT
SCHEMBL493206 0.88 KMT2A (0.37) SLC9A3KMT2APOLBHPGDHTT
SCHEMBL493053 0.88 KMT2A (0.37) SLC9A3KMT2APOLBHPGDHTT
SCHEMBL492577 0.88 SLC9A3 (0.36) BDKRB1SLC9A3OPRL1PTGIR
SCHEMBL493334 0.88 BDKRB1 (0.44) BDKRB1KMT2A
SCHEMBL493366 0.88 BDKRB1 (0.38) BDKRB1SLC9A3PTGIR

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 6 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 1622/4885SLC9A3 2717/4885KMT2A 1749/4885

“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.