SCHEMBL493484

SCHEMBL493484

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COC2CCCCC2N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
OPRL1 P41146 2/20 0.39
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
SPPL2A Q8TCT8 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL492539 0.93 KMT2A (0.43) KMT2AALDH1A1PSEN1PSEN2SPPL2A
SCHEMBL492745 0.92 KMT2A (0.41) KMT2AALDH1A1PSEN1PSEN2SPPL2A
SCHEMBL493357 0.90 PSEN1 (0.36) KMT2AOPRL1PSEN1PSEN2SPPL2A
SCHEMBL492893 0.82 SPPL2A (0.40) KMT2AALDH1A1PSEN1PSEN2SPPL2A
SCHEMBL492897 0.82 KMT2A (0.36) KMT2AALDH1A1PSEN1PSEN2SPPL2A
SCHEMBL492802 0.81 LMNA (0.34) KMT2AALDH1A1OPRL1PSEN1PSEN2
SCHEMBL492674 0.79 KMT2A (0.37) KMT2AALDH1A1PSEN1PSEN2SPPL2A
SCHEMBL493108 0.78 GAA (0.42) KMT2AALDH1A1OPRL1TSHRGAA
SCHEMBL492584 0.78 PSEN1 (0.34) KMT2AALDH1A1PSEN1PSEN2SPPL2A
SCHEMBL492796 0.78 HTR7 (0.39) KMT2AALDH1A1OPRL1NPC1RAB9A

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 3 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 1349/4885OPRL1 4/4885

“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.