SCHEMBL492959

SCHEMBL492959

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NCC2CCC(C(CCc3ccccc3)N3CCOCC3)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
FAAH O00519 3/20 0.38
ACHE P22303 3/20 0.38
RAB9A P51151 2/20 0.37
PTGIR P43119 1/20 0.36
BCHE P06276 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL493739 0.98 FAAH (0.37) DRD2FAAHACHERAB9APTGIR
SCHEMBL492876 0.95 FAAH (0.40) DRD2FAAHACHERAB9APTGIR
SCHEMBL494616 0.94 FAAH (0.40) FAAHACHERAB9APTGIRBCHE
SCHEMBL493069 0.91 DRD2 (0.36) DRD2RAB9AALDH1A1
SCHEMBL493324 0.90 POLB (0.39) FAAHACHEPTGIRBCHEKDM4E
SCHEMBL493637 0.89 ATM (0.36) DRD2RAB9AALDH1A1
SCHEMBL493546 0.88 RAB9A (0.39) FAAHACHERAB9APTGIRALDH1A1
SCHEMBL493411 0.88 FAAH (0.36) DRD2FAAHACHEBCHEKDM4E
SCHEMBL493010 0.86 PTGIR (0.37) FAAHACHERAB9APTGIRALDH1A1
SCHEMBL493550 0.86 FAAH (0.36) FAAHACHEBCHEKDM4EALDH1A1

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 4 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 DRD2 3432/4885FAAH 6/4885ACHE 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.