SCHEMBL492952

SCHEMBL492952

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.41
FAAH O00519 7/20 0.40
ACHE P22303 7/20 0.40
BCHE P06276 5/20 0.40
TRPV4 Q9HBA0 2/20 0.39
ACLY P53396 1/20 0.39
MAOB P27338 1/20 0.36
NR2F2 P24468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP5 P45974 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAPEPLD Q6IQ20 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
SCHEMBL493232 0.90 KMT2A (0.44) FAAHACHEBCHEMEN1KMT2A
SCHEMBL492460 0.88 KMT2A (0.40) TDP1ATMFAAHACHEBCHE
SCHEMBL493508 0.87 ALDH1A1 (0.42) ATMFAAHACHEBCHEMEN1
SCHEMBL492637 0.85 ALDH1A1 (0.45) ATMFAAHACHEBCHEMEN1
SCHEMBL494143 0.85 EPHX2 (0.47) FAAHACHEBCHEMEN1KMT2A
SCHEMBL494084 0.85 MEN1 (0.46) FAAHACHEBCHEMEN1KMT2A
SCHEMBL492759 0.84 ALDH1A1 (0.44) FAAHACHEBCHEMEN1KMT2A
SCHEMBL3661024 0.83 TRPV4 (0.39) TDP1ATMFAAHACHEBCHE
SCHEMBL492863 0.83 FAAH (0.41) FAAHACHEBCHEMEN1KMT2A
SCHEMBL492631 0.83 POLB (0.48) TDP1MEN1KMT2AALDH1A1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDP1 3893/4885ATM 1904/4885FAAH 6/4885

“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.