SCHEMBL494616

SCHEMBL494616

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(CCc3ccccc3)N3CCCC3)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
ACHE P22303 3/20 0.40
PTGIR P43119 1/20 0.38
RAB9A P51151 3/20 0.37
BCHE P06276 2/20 0.37
FKBP1A P62942 4/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL492876 0.99 FAAH (0.40) FAAHACHEPTGIRRAB9ABCHE
SCHEMBL493739 0.95 FAAH (0.37) FAAHACHEPTGIRRAB9ABCHE
SCHEMBL492959 0.94 DRD2 (0.38) FAAHACHEPTGIRRAB9ABCHE
SCHEMBL493798 0.90 FKBP1A (0.37) RAB9AFKBP1AALDH1A1NPC1
SCHEMBL493290 0.88 SIGMAR1 (0.36) RAB9AFKBP1A
SCHEMBL493297 0.88 POLB (0.41) FAAHACHEPTGIRBCHEKDM4E
SCHEMBL493572 0.88 PTGIR (0.39) FAAHACHEPTGIRRAB9AHPGD
SCHEMBL493595 0.87 FAAH (0.38) FAAHACHEBCHEFKBP1AKDM4E
SCHEMBL493288 0.86 RAB9A (0.41) FAAHACHEPTGIRRAB9ANPC1
SCHEMBL493637 0.86 ATM (0.36) RAB9AFKBP1AALDH1A1NPC1

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 FAAH 6/4885ACHE 52/4885PTGIR 121/4885

“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.