SCHEMBL1037804

SCHEMBL1037804

CN(C)c1cccc(N(CC(=O)N(CCO)Cc2ccccn2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.46
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 2/20 0.41
KMT2A Q03164 4/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HCRTR1 O43613 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER2 P43116 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1037933 0.95 HCRTR2 (0.45) HCRTR2ALDH1A1NPC1RAB9APKM
SCHEMBL1036836 0.93 HCRTR2 (0.53) HCRTR2ALDH1A1NPC1RAB9APKM
SCHEMBL1036914 0.87 HCRTR2 (0.46) HCRTR2PKMKMT2AMEN1TRPM8
SCHEMBL1039842 0.86 HCRTR2 (0.64) HCRTR2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL1040959 0.86 PKM (0.56) HCRTR2PKMKMT2AKEAP1NFE2L2
SCHEMBL1037169 0.86 HCRTR2 (0.47) HCRTR2ALDH1A1NPC1RAB9APKM
SCHEMBL1041112 0.86 HCRTR2 (0.45) HCRTR2PKMKEAP1NFE2L2TRPM8
SCHEMBL1038431 0.86 HCRTR2 (0.51) HCRTR2ALDH1A1NPC1RAB9APKM
SCHEMBL1040589 0.85 HCRTR2 (0.61) HCRTR2ALDH1A1PKMKEAP1NFE2L2
SCHEMBL1039175 0.81 HCRTR2 (0.62) HCRTR2ALDH1A1NPC1RAB9AKMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP claimed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US claimed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US claimed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US claimed
US-20060014783-A1 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-19 US claimed
CN-1703397-A Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-11-30 CN claimed
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP claimed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO claimed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
CN-1332942-C Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2007-08-22 CN disclosed
US-20060014783-A1 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-19 US disclosed
CN-1703397-A Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-11-30 CN disclosed
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 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 (2 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-20060014783-A1 Sulfonylamino-acetic acid derivatives HCRTR2, HCRTR1, GIPR HCRTR2 1/4885ALDH1A1 496/4885NPC1 1748/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR HCRTR2 1/4885ALDH1A1 496/4885NPC1 1748/4885

“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.