SCHEMBL493550

SCHEMBL493550

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
NAPEPLD Q6IQ20 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FKBP1A P62942 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL493411 0.98 FAAH (0.36) FAAHBCHEACHENAPEPLDALDH1A1
SCHEMBL493595 0.95 FAAH (0.38) FAAHBCHEACHEALDH1A1FKBP1A
SCHEMBL493272 0.94 FAAH (0.38) FAAHBCHEACHEALDH1A1FKBP1A
SCHEMBL493127 0.91 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2FKBP1APOLBKMT2A
SCHEMBL493548 0.89 MEN1 (0.36) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL492921 0.88 THRB (0.35) FAAHBCHEACHENAPEPLDALDH1A1
SCHEMBL493739 0.88 FAAH (0.37) FAAHBCHEACHENAPEPLDALDH1A1
SCHEMBL493032 0.87 ATM (0.38) FAAHBCHEACHEALDH1A1SMN1; SMN2
SCHEMBL493458 0.86 THRB (0.36) FAAHBCHEACHENAPEPLDSMN1; SMN2
SCHEMBL492959 0.86 DRD2 (0.38) FAAHBCHEACHEALDH1A1KDM4E

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 FAAH 6/4885BCHE 3050/4885ACHE 52/4885

“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.