SCHEMBL493376

SCHEMBL493376

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
CXCR3 P49682 2/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL492871 1.00 ALDH1A1 (0.38) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL493538 0.96 HTT (0.40) ALDH1A1LMNAHPGDHTTNPC1
SCHEMBL493519 0.96 LMNA (0.40) ALDH1A1LMNAHTTCXCR3KMT2A
SCHEMBL493378 0.93 KMT2A (0.43) ALDH1A1LMNAHPGDHTTNPC1
SCHEMBL493177 0.93 ALDH1A1 (0.38) ALDH1A1LMNAHTTCXCR3KMT2A
SCHEMBL493206 0.92 KMT2A (0.37) ALDH1A1LMNAHPGDHTTNPC1
SCHEMBL493053 0.92 KMT2A (0.37) ALDH1A1LMNAHPGDHTTNPC1
SCHEMBL492544 0.92 PTGIR (0.41) ALDH1A1LMNAHPGDHTTNPC1
SCHEMBL492721 0.92 CXCR3 (0.43) ALDH1A1LMNAHTTCXCR3KMT2A
SCHEMBL493379 0.91 KMT2A (0.44) ALDH1A1LMNAHPGDHTTNPC1

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 1349/4885LMNA 2485/4885PSEN1 3663/4885

“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.