SCHEMBL493055

SCHEMBL493055

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATF4 P18848 1/20 0.36
CCR5 P51681 2/20 0.34
SLC9A3 P48764 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A9 P48067 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL492686 0.92 ALDH1A1 (0.41) OPRL1ALDH1A1LMNAHTTKMT2A
SCHEMBL493268 0.90 LMNA (0.38) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL492794 0.90 ALDH1A1 (0.40) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL493973 0.90 OPRL1 (0.37) OPRL1ALDH1A1NPC1RAB9A
SCHEMBL493098 0.90 OPRL1 (0.38) OPRL1ALDH1A1SLC9A3NPC1RAB9A
SCHEMBL492545 0.90 BDKRB1 (0.39) OPRL1LMNAKMT2AMEN1NPC1
SCHEMBL492973 0.89 L3MBTL1 (0.42) OPRL1LMNAHTTSMN1; SMN2PSEN1
SCHEMBL493579 0.89 CXCR3 (0.38) OPRL1ALDH1A1LMNAKMT2ASLC9A3
SCHEMBL492490 0.89 MAPT (0.39) OPRL1ALDH1A1HTTKMT2AMEN1
SCHEMBL492914 0.88 OPRL1 (0.37) OPRL1ALDH1A1LMNAHTTKMT2A

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 OPRL1 4/4885ALDH1A1 1349/4885LMNA 2485/4885

“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.