SCHEMBL493167

SCHEMBL493167

CN(C)C(c1cccs1)C1CCC(CNC(=O)COCCNS(=O)(=O)c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.34
POLB P06746 3/20 0.34
KMT2A Q03164 4/20 0.33
TP53 P04637 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGIR P43119 1/20 0.33
MEN1 O00255 3/20 0.33
FAAH O00519 1/20 0.33
ACHE P22303 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPY5R Q15761 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL492679 0.94 ALDH1A1 (0.34) ALDH1A1HPGDPOLBTP53TDP1
SCHEMBL492463 0.90 SMN1; SMN2 (0.38) POLBKMT2AMEN1MAPTGAA
SCHEMBL492939 0.90 PTGIR (0.39) ALDH1A1HPGDPOLBKMT2ATP53
SCHEMBL492654 0.86 FAAH (0.38) ALDH1A1HPGDKMT2APTGIRMEN1
SCHEMBL492240 0.86 PTGIR (0.36) ALDH1A1HPGDPOLBKMT2APTGIR
SCHEMBL493355 0.84 PTGIR (0.37) ALDH1A1HPGDKMT2APTGIRFAAH
SCHEMBL493018 0.84 KMT2A (0.38) ALDH1A1HPGDPOLBKMT2ATP53
SCHEMBL492259 0.80 SGMS1 (0.33) HPGDKMT2AMEN1ACHEMAPT
SCHEMBL492602 0.80 PTGIR (0.37) ALDH1A1KMT2APTGIRMEN1ACHE
SCHEMBL493050 0.79 RAB9A (0.37) HPGDPOLBKMT2A

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 ALDH1A1 1349/4885HPGD 213/4885POLB 2120/4885

“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.