SCHEMBL492539

SCHEMBL492539

CN(C)C(c1ccccc1)C1CCC(NC(=O)COC2CCCCC2N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SPPL2A Q8TCT8 6/20 0.41
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
TSHR P16473 1/20 0.39
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37

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
SCHEMBL492745 0.93 KMT2A (0.41) KMT2AALDH1A1SPPL2APSEN1PSEN2
SCHEMBL493484 0.93 KMT2A (0.40) KMT2AALDH1A1SPPL2APSEN1PSEN2
SCHEMBL492893 0.89 SPPL2A (0.40) KMT2AALDH1A1SPPL2APSEN1PSEN2
SCHEMBL492674 0.84 KMT2A (0.37) KMT2AALDH1A1SPPL2APSEN1PSEN2
SCHEMBL492897 0.83 KMT2A (0.36) KMT2AALDH1A1SPPL2APSEN1PSEN2
SCHEMBL492584 0.83 PSEN1 (0.34) KMT2AALDH1A1SPPL2APSEN1PSEN2
SCHEMBL493357 0.82 PSEN1 (0.36) KMT2ASPPL2APSEN1PSEN2APH1B
SCHEMBL492802 0.82 LMNA (0.34) KMT2AALDH1A1SPPL2APSEN1PSEN2
SCHEMBL493413 0.80 KMT2A (0.42) KMT2AALDH1A1SPPL2APSEN1PSEN2
SCHEMBL493298 0.79 GAA (0.50) KMT2AALDH1A1SPPL2APSEN1PSEN2

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 1749/4885ALDH1A1 1349/4885SPPL2A 3009/4885

“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.