SCHEMBL492963

SCHEMBL492963

CN(C)C(c1ccc(F)cc1)C1CCC(CNC(=O)COCCN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTR4 Q13639 1/20 0.40
PKM P14618 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
BLM P54132 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL493068 0.93 KMT2A (0.41) ALDH1A1KMT2AMAPTATMCHRNB2
SCHEMBL492931 0.92 CCL5 (0.43) ALDH1A1KMT2AMAPTATML3MBTL1
SCHEMBL493227 0.91 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTATMGAA
SCHEMBL493528 0.89 PKM (0.51) ALDH1A1KMT2AMAPTATMCHRNB2
SCHEMBL493299 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTATML3MBTL1
SCHEMBL493555 0.85 KMT2A (0.50) ALDH1A1KMT2AMAPTATMGAA
SCHEMBL492848 0.85 CCL5 (0.42) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL493333 0.85 KMT2A (0.45) ALDH1A1KMT2AMAPTATMGAA
SCHEMBL492733 0.84 DPP4 (0.44) ALDH1A1KMT2AMAPTATMLMNA
SCHEMBL492716 0.84 EPHX2 (0.41) ALDH1A1KMT2ASMN1; SMN2LMNAGAA

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 ALDH1A1 1349/4885KMT2A 1749/4885MAPT 1653/4885

“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.