SCHEMBL493538

SCHEMBL493538

CN(C)C(c1ccc(F)cc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 5/20 0.37
PTGIR P43119 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL493378 0.97 KMT2A (0.43) HTTHPGDNPC1KMT2AMEN1
SCHEMBL493376 0.96 ALDH1A1 (0.38) HTTHPGDNPC1KMT2AMEN1
SCHEMBL492871 0.96 ALDH1A1 (0.38) HTTHPGDNPC1KMT2AMEN1
SCHEMBL492544 0.96 PTGIR (0.41) HTTHPGDNPC1KMT2AMEN1
SCHEMBL493379 0.95 KMT2A (0.44) HTTHPGDNPC1KMT2AALDH1A1
SCHEMBL493086 0.93 BDKRB1 (0.42) HTTHPGDNPC1KMT2ASMN1; SMN2
SCHEMBL493251 0.92 HTR6 (0.38) HTTHPGDNPC1KMT2AMEN1
SCHEMBL493345 0.91 KMT2A (0.39) HTTHPGDNPC1KMT2AMEN1
SCHEMBL493179 0.91 CYP3A4 (0.44) HTTHPGDNPC1KMT2AMEN1
SCHEMBL493519 0.91 LMNA (0.40) HTTKMT2AMEN1SMN1; SMN2PTGIR

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 HTT 3541/4885HPGD 213/4885NPC1 519/4885

“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.