SCHEMBL493345

SCHEMBL493345

CN(C)C(c1ccc(F)cc1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
BDKRB1 P46663 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RORC P51449 1/20 0.33
TRPA1 O75762 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
SCHEMBL492862 0.97 KMT2A (0.42) KMT2AMEN1HTTHPGDPOLB
SCHEMBL493206 0.96 KMT2A (0.37) KMT2AMEN1HTTHPGDPOLB
SCHEMBL493053 0.96 KMT2A (0.37) KMT2AMEN1HTTHPGDPOLB
SCHEMBL493527 0.95 KMT2A (0.43) KMT2AMEN1NPC1BDKRB1ALDH1A1
SCHEMBL493590 0.94 BDKRB1 (0.42) KMT2AMEN1HTTHPGDSMN1; SMN2
SCHEMBL493166 0.92 KMT2A (0.37) KMT2AMEN1HTTHPGDPOLB
SCHEMBL492854 0.92 ALDH1A1 (0.41) KMT2AMEN1HTTSMN1; SMN2BDKRB1
SCHEMBL493432 0.92 ALDH1A1 (0.38) KMT2AMEN1HTTSMN1; SMN2BDKRB1
SCHEMBL493538 0.91 HTT (0.40) KMT2AMEN1HTTHPGDPOLB
SCHEMBL493159 0.89 BDKRB1 (0.38) KMT2ASMN1; SMN2BDKRB1LMNA

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 4132/4885HTT 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.