SCHEMBL492802

SCHEMBL492802

CN(C)C(c1ccc(F)cc1)C1CCC(CCNC(=O)COC2CCCCC2N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
TP53 P04637 2/20 0.34
PKM P14618 1/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
SPPL2A Q8TCT8 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
TACR2 P21452 1/20 0.33
GAA P10253 1/20 0.33
BDKRB1 P46663 2/20 0.33
OPRL1 P41146 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL492584 0.94 PSEN1 (0.34) LMNATP53PSEN1PSEN2SPPL2A
SCHEMBL492897 0.93 KMT2A (0.36) LMNATP53PKMPSEN1PSEN2
SCHEMBL492745 0.88 KMT2A (0.41) LMNATP53PSEN1PSEN2SPPL2A
SCHEMBL492674 0.87 KMT2A (0.37) LMNATP53PSEN1PSEN2SPPL2A
SCHEMBL492893 0.86 SPPL2A (0.40) PSEN1PSEN2SPPL2AAPH1BNCSTN
SCHEMBL493424 0.86 ALDH1A1 (0.35) LMNATP53PKMPSEN1PSEN2
SCHEMBL493357 0.85 PSEN1 (0.36) LMNATP53PKMPSEN1PSEN2
SCHEMBL492539 0.82 KMT2A (0.43) LMNAPSEN1PSEN2SPPL2AAPH1B
SCHEMBL493484 0.81 KMT2A (0.40) LMNAPKMPSEN1PSEN2SPPL2A
SCHEMBL493145 0.79 ALDH1A1 (0.35) LMNATP53PKMPSEN1PSEN2

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 6 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-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 LMNA 2485/4885TP53 4136/4885PKM 1161/4885

“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.