SCHEMBL493642

SCHEMBL493642

CN1CCN(C(c2ccccc2)C2CCC(NC(=O)COCC3CCCCN3S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.41
CACNA1B Q00975 4/20 0.41
CACNB1 Q02641 4/20 0.41
CACNA1C Q13936 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL493321 0.98 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL493532 0.95 SMN1; SMN2 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL493404 0.93 SMN1; SMN2 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL492865 0.91 CYP3A4 (0.38) SMN1; SMN2MEN1POLBKMT2AGAA
SCHEMBL493417 0.89 MEN1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL492720 0.87 CACNA2D1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL494334 0.85 RAB9A (0.37) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL493457 0.85 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL493455 0.85 PTGIR (0.37) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL494049 0.84 MEN1 (0.35) SMN1; SMN2MEN1POLBKMT2AGAA

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 CACNA2D1 638/4885CACNA1B 1416/4885CACNB1 3167/4885

“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.