SCHEMBL492544

SCHEMBL492544

CN(C)C(c1ccccc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.41
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CXCR3 P49682 1/20 0.36
TRPA1 O75762 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
SCHEMBL493538 0.96 HTT (0.40) PTGIRHTTALDH1A1LMNAHPGD
SCHEMBL493251 0.93 HTR6 (0.38) PTGIRHTTALDH1A1LMNAHPGD
SCHEMBL493378 0.93 KMT2A (0.43) PTGIRHTTALDH1A1LMNAHPGD
SCHEMBL492806 0.92 PTGIR (0.41) PTGIRHTTALDH1A1LMNAKMT2A
SCHEMBL493376 0.92 ALDH1A1 (0.38) HTTALDH1A1LMNAHPGDNPC1
SCHEMBL492871 0.92 ALDH1A1 (0.38) HTTALDH1A1LMNAHPGDNPC1
SCHEMBL492721 0.92 CXCR3 (0.43) PTGIRHTTALDH1A1LMNAKMT2A
SCHEMBL493379 0.91 KMT2A (0.44) HTTALDH1A1LMNAHPGDNPC1
SCHEMBL493883 0.91 CXCR3 (0.46) PTGIRHTTALDH1A1LMNAKMT2A
SCHEMBL492782 0.90 CXCR3 (0.47) PTGIRHTTALDH1A1LMNASMN1; SMN2

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 PTGIR 121/4885HTT 3541/4885ALDH1A1 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.