SCHEMBL493069

SCHEMBL493069

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NC2CCC(C(CCc3ccccc3)N3CCOCC3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.35
MMP12 P39900 1/20 0.34
FKBP1A P62942 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL493637 0.98 ATM (0.36) DRD2ATMALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL493290 0.94 SIGMAR1 (0.36) SIGMAR1RAB9AFKBP1APOLB
SCHEMBL493798 0.93 FKBP1A (0.37) ALDH1A1SMN1; SMN2SIGMAR1RAB9AFKBP1A
SCHEMBL492959 0.91 DRD2 (0.38) DRD2ALDH1A1RAB9A
SCHEMBL492984 0.90 POLB (0.38) ATMALDH1A1SMN1; SMN2SIGMAR1MEN1
SCHEMBL493739 0.89 FAAH (0.37) DRD2ALDH1A1RAB9AFKBP1A
SCHEMBL493699 0.88 ATM (0.37) ATMALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL493548 0.87 MEN1 (0.36) ATMALDH1A1SMN1; SMN2SIGMAR1MEN1
SCHEMBL493818 0.86 ATM (0.38) ATMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL492876 0.85 FAAH (0.40) DRD2ALDH1A1RAB9APOLB

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
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
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 3432/4885ATM 1904/4885ALDH1A1 1349/4885

“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.