SCHEMBL2707113

SCHEMBL2707113

Cc1cc(C)cc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.69
LMNA P02545 2/20 0.69
NPC1 O15118 1/20 0.68
POLB P06746 1/20 0.67
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
GAA P10253 1/20 0.53
HCRTR1 O43613 4/20 0.53
HCRTR2 O43614 4/20 0.53
USP30 Q70CQ3 1/20 0.52
JAK2 O60674 1/20 0.52

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
SCHEMBL2707116 1.00 NPSR1 (0.69) NPSR1LMNANPC1POLBALDH1A1
SCHEMBL23559008 0.89 NPSR1 (0.70) NPSR1LMNANPC1POLBALDH1A1
SCHEMBL4101103 0.85 NPSR1 (0.66) NPSR1LMNANPC1POLBALDH1A1
SCHEMBL2389717 0.84 NPC1 (0.77) NPSR1LMNANPC1POLBALDH1A1
SCHEMBL17474759 0.84 NPC1 (0.80) NPSR1LMNANPC1ALDH1A1MEN1
SCHEMBL17474788 0.84 NPC1 (0.80) NPSR1LMNANPC1ALDH1A1MEN1
SCHEMBL2525285 0.84 NPC1 (0.77) NPSR1LMNANPC1POLBALDH1A1
SCHEMBL17474775 0.84 NPC1 (0.69) NPSR1LMNANPC1POLBALDH1A1
SCHEMBL23373363 0.83 NPC1 (0.79) NPSR1LMNANPC1ALDH1A1MEN1
SCHEMBL29639973 0.82 NPC1 (0.71) NPSR1LMNANPC1POLBALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608787-B1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2019-11-20 EP disclosed
US-9211279-B2 Proline sulfonamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-15 US disclosed
US-20150246021-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-03 US disclosed
US-9000029-B2 Proline sulfonamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-04-07 US disclosed
US-20150057328-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2015-02-26 US disclosed
US-8895606-B2 Proline sulfonamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-25 US disclosed
EP-2608787-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-07-03 EP disclosed
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-06-13 US disclosed
WO-2012025877-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-03-01 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 (3 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-20150057328-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 NPSR1 3/4885LMNA 3213/4885NPC1 994/4885
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 NPSR1 3/4885LMNA 3213/4885NPC1 994/4885
US-20150246021-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 NPSR1 3/4885LMNA 3255/4885NPC1 902/4885

“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.