SCHEMBL492914

SCHEMBL492914

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.37
SLC9A3 P48764 4/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 1/20 0.35
PTGIR P43119 3/20 0.34
PTGDR Q13258 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
HTR6 P50406 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
BDKRB1 P46663 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
SCHEMBL493166 0.95 KMT2A (0.37) OPRL1SLC9A3KMT2AMEN1ALDH1A1
SCHEMBL492803 0.93 SMN1; SMN2 (0.36) OPRL1SLC9A3KMT2APTGIRMEN1
SCHEMBL493579 0.93 CXCR3 (0.38) OPRL1SLC9A3KMT2AMAPTPTGIR
SCHEMBL493303 0.92 ALDH1A1 (0.39) KMT2APTGIRPTGDRALDH1A1LMNA
SCHEMBL493206 0.91 KMT2A (0.37) SLC9A3KMT2AMAPTPTGIRMEN1
SCHEMBL493053 0.91 KMT2A (0.37) SLC9A3KMT2AMAPTPTGIRMEN1
SCHEMBL492810 0.91 OPRM1 (0.41) MAPTPTGIRLMNAHTTPSEN1
SCHEMBL493332 0.91 BDKRB1 (0.36) OPRL1SLC9A3BDKRB1
SCHEMBL492577 0.91 SLC9A3 (0.36) OPRL1SLC9A3PTGIRBDKRB1
SCHEMBL492894 0.90 BDKRB1 (0.37) OPRL1SLC9A3HTR6BDKRB1

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
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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD OPRL1 4/4885SLC9A3 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.