SCHEMBL492558

SCHEMBL492558

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.35
PTGIR P43119 4/20 0.34
TRPV4 Q9HBA0 3/20 0.34
OPRM1 P35372 2/20 0.34
BDKRB1 P46663 5/20 0.34
OPRL1 P41146 3/20 0.34
CNR2 P34972 1/20 0.34
HTR6 P50406 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
SCHEMBL493332 0.93 BDKRB1 (0.36) TRPV4OPRM1BDKRB1OPRL1CNR2
SCHEMBL493003 0.92 TRPV4 (0.36) PTGIRTRPV4BDKRB1CNR2
SCHEMBL494153 0.91 PTGIR (0.35) HTR7PTGIROPRM1BDKRB1OPRL1
SCHEMBL493579 0.90 CXCR3 (0.38) PTGIROPRL1HTR6
SCHEMBL493359 0.90 BDKRB1 (0.36) PTGIRTRPV4BDKRB1CNR2
SCHEMBL493973 0.90 OPRL1 (0.37) TRPV4OPRM1BDKRB1OPRL1
SCHEMBL493043 0.90 BDKRB1 (0.38) PTGIROPRM1BDKRB1OPRL1HTR6
SCHEMBL493251 0.86 HTR6 (0.38) PTGIROPRL1HTR6
SCHEMBL493346 0.85 HTR6 (0.37) PTGIROPRM1OPRL1HTR6
SCHEMBL492842 0.85 BDKRB1 (0.36) TRPV4BDKRB1CNR2

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 8 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 HTR7 1873/4885PTGIR 121/4885TRPV4 217/4885

“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.