SCHEMBL493579

SCHEMBL493579

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.38
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
HTR6 P50406 2/20 0.37
KMT2A Q03164 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PTGIR P43119 2/20 0.36
MAPT P10636 1/20 0.35
PTGDR Q13258 1/20 0.35
SLC9A3 P48764 1/20 0.35

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
SCHEMBL493251 0.95 HTR6 (0.38) HTR6KMT2AOPRL1ALDH1A1LMNA
SCHEMBL493346 0.93 HTR6 (0.37) HTR6KMT2AOPRL1ALDH1A1LMNA
SCHEMBL492914 0.93 OPRL1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL492885 0.92 ALDH1A1 (0.40) CXCR3HTR6KMT2AALDH1A1LMNA
SCHEMBL492871 0.91 ALDH1A1 (0.38) CXCR3PSEN1PSEN2APH1BNCSTN
SCHEMBL493376 0.91 ALDH1A1 (0.38) CXCR3PSEN1PSEN2APH1BNCSTN
SCHEMBL492721 0.91 CXCR3 (0.43) CXCR3KMT2AALDH1A1LMNAPTGIR
SCHEMBL492558 0.90 HTR7 (0.35) HTR6OPRL1PTGIR
SCHEMBL494153 0.90 PTGIR (0.35) HTR6OPRL1PTGIRSLC9A3
SCHEMBL493043 0.90 BDKRB1 (0.38) HTR6OPRL1PTGIRSLC9A3

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 CXCR3 4458/4885PSEN1 3663/4885PSEN2 2905/4885

“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.