SCHEMBL492460

SCHEMBL492460

CN(C)C(c1ccccc1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TRPV4 Q9HBA0 2/20 0.38
FAAH O00519 2/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
ACLY P53396 2/20 0.37
USP5 P45974 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 3/20 0.36
CCR5 P51681 1/20 0.35
CYP2C9 P11712 1/20 0.35
CNR2 P34972 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
SCHEMBL493220 0.93 TRPV4 (0.40) KMT2AMEN1TRPV4ATMMAPT
SCHEMBL492756 0.92 TRPV4 (0.39) KMT2AMEN1TRPV4FAAHBCHE
SCHEMBL493966 0.90 ALDH1A1 (0.40) KMT2AMEN1TRPV4TDP1ACLY
SCHEMBL492613 0.89 KMT2A (0.49) KMT2AMEN1FAAHBCHEACHE
SCHEMBL492707 0.88 KMT2A (0.46) KMT2AMEN1FAAHBCHEACHE
SCHEMBL492952 0.88 TDP1 (0.42) KMT2AMEN1TRPV4FAAHBCHE
SCHEMBL492784 0.87 KMT2A (0.46) KMT2AMEN1ATMMAPT
SCHEMBL493465 0.87 KMT2A (0.37) KMT2AMEN1FAAHBCHEACHE
SCHEMBL493091 0.86 TRPV4 (0.39) KMT2AMEN1TRPV4ACHEATM
SCHEMBL492801 0.85 TRPV4 (0.38) KMT2AMEN1TRPV4ACHETDP1

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 1749/4885MEN1 4132/4885TRPV4 217/4885

“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.