SCHEMBL492865

SCHEMBL492865

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(C(c2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL493417 0.98 MEN1 (0.38) CYP3A4CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL493532 0.95 SMN1; SMN2 (0.39) CYP3A4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL493404 0.93 SMN1; SMN2 (0.38) CYP3A4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL493642 0.91 CACNA2D1 (0.41) CYP3A4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL492921 0.90 THRB (0.35) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL493321 0.89 CACNA2D1 (0.41) CYP3A4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL493458 0.88 THRB (0.36) KMT2ASMN1; SMN2POLBLMNARAB9A
SCHEMBL493127 0.88 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL493818 0.87 ATM (0.38) CYP3A4CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL493548 0.85 MEN1 (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2ATM

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 CYP3A4 465/4885CYP2C19 134/4885KMT2A 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.