SCHEMBL492794

SCHEMBL492794

CN(C)C(c1ccccc1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ATF4 P18848 1/20 0.39
CCR5 P51681 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL493526 0.94 CCR5 (0.43) ALDH1A1LMNAHTTCCR5SMN1; SMN2
SCHEMBL493268 0.92 LMNA (0.38) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL492822 0.91 LMNA (0.40) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL492817 0.91 CAMK2A (0.40) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL493055 0.90 OPRL1 (0.39) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL492458 0.88 MAPT (0.38) ALDH1A1LMNAKMT2AMEN1ATF4
SCHEMBL492815 0.88 BDKRB1 (0.36) ALDH1A1KMT2AMEN1ATF4CCR5
SCHEMBL492721 0.88 CXCR3 (0.43) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL492955 0.88 BDKRB1 (0.41) ALDH1A1KMT2AMEN1TSHRNPSR1
SCHEMBL492656 0.88 L3MBTL1 (0.44) ALDH1A1LMNAHTTCCR5SMN1; SMN2

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 ALDH1A1 1349/4885LMNA 2485/4885HTT 3541/4885

“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.