SCHEMBL492880

SCHEMBL492880

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3ccccc3)N(C)C)CC2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.40
AVPR1A P37288 1/20 0.38
AVPR1B P47901 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL493505 0.93 LMNA (0.42) KMT2AMEN1KDM4ETSHRAVPR1A
SCHEMBL493111 0.93 MEN1 (0.39) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL493197 0.90 RAB9A (0.39) AVPR1AAVPR1BRAB9ANPC1ALDH1A1
SCHEMBL493720 0.89 RAB9A (0.46) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL492898 0.87 FKBP1A (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL493738 0.87 RAB9A (0.43) KMT2AMEN1RAB9ANPC1
SCHEMBL493307 0.84 LMNA (0.42) KMT2AMEN1TSHRRAB9ANPC1
SCHEMBL493088 0.84 OXTR (0.37) TSHRAVPR1AAVPR1BRAB9ANPC1
SCHEMBL492665 0.83 HSD11B1 (0.39) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL493234 0.83 LMNA (0.37) TSHRAVPR1AAVPR1BRAB9ANPC1

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 KMT2A 1749/4885MEN1 4132/4885KDM4E 2178/4885

“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.