SCHEMBL493506

SCHEMBL493506

CN(C)C(c1ccc(F)cc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.35
SLC9A3 P48764 4/20 0.34
BDKRB1 P46663 4/20 0.34
GRM5 P41594 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL493109 0.94 SLC9A3 (0.35) PTGIRSLC9A3BDKRB1GRM5
SCHEMBL493135 0.93 BDKRB1 (0.39) PTGIRBDKRB1GRM5HPGDHTT
SCHEMBL493047 0.92 BDKRB1 (0.37) SLC9A3BDKRB1KMT2A
SCHEMBL492844 0.92 PTGIR (0.40) PTGIRSLC9A3BDKRB1KMT2A
SCHEMBL494153 0.92 PTGIR (0.35) PTGIRSLC9A3BDKRB1
SCHEMBL493003 0.91 TRPV4 (0.36) PTGIRBDKRB1GRM5HPGDHTT
SCHEMBL493376 0.89 ALDH1A1 (0.38) HPGDHTTNPC1KMT2APSEN1
SCHEMBL492871 0.89 ALDH1A1 (0.38) HPGDHTTNPC1KMT2APSEN1
SCHEMBL492948 0.89 LMNA (0.37) BDKRB1HPGDNPC1
SCHEMBL493380 0.88 BDKRB1 (0.40) PTGIRSLC9A3BDKRB1KMT2A

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 PTGIR 121/4885SLC9A3 2717/4885BDKRB1 1622/4885

“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.