SCHEMBL493018

SCHEMBL493018

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COCCNS(=O)(=O)c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.35
PTGIR P43119 1/20 0.35
FAAH O00519 2/20 0.35
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
TP53 P04637 1/20 0.33
CXCR3 P49682 1/20 0.33

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
SCHEMBL492939 0.88 PTGIR (0.39) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL492240 0.85 PTGIR (0.36) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL492654 0.85 FAAH (0.38) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL493167 0.84 ALDH1A1 (0.38) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL493355 0.83 PTGIR (0.37) KMT2AALDH1A1HPGDPTGIRFAAH
SCHEMBL493019 0.78 CXCR3 (0.46) KMT2AMEN1POLBLMNACXCR3
SCHEMBL492259 0.78 SGMS1 (0.33) KMT2AMEN1MAPTHPGDACHE
SCHEMBL492602 0.78 PTGIR (0.37) KMT2AMEN1ALDH1A1LMNAPTGIR
SCHEMBL492679 0.78 ALDH1A1 (0.34) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL493602 0.77 MAPT (0.43) KMT2AMEN1MAPTALDH1A1LMNA

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 4132/4885POLB 2120/4885

“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.