SCHEMBL5422949

SCHEMBL5422949

CCC(N)C(=O)c1nc(-c2ccccc2)no1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 4/20 0.47
POLB P06746 1/20 0.44
NOTUM Q6P988 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DPP4 P27487 1/20 0.44
DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL5422942 1.00 TPH1 (0.47) TPH1POLBNOTUMKDM4EGAA
SCHEMBL14427067 0.79 POLB (0.44) POLBNOTUMKDM4EGAAALDH1A1
SCHEMBL14378284 0.79 POLB (0.44) POLBNOTUMKDM4EGAAALDH1A1
SCHEMBL3869252 0.78 KDM4E (0.41) TPH1POLBKDM4EGAA
SCHEMBL6635027 0.77 HPGD (0.54) POLBNOTUMALDH1A1
SCHEMBL31323246 0.76 NPC1 (0.60) NOTUMKDM4EALDH1A1NPC1RAB9A
SCHEMBL5394166 0.76 TDP1 (0.38) TPH1POLB
SCHEMBL1326759 0.75 NR1H4 (0.57) NOTUMALDH1A1NPC1RAB9A
SCHEMBL27768533 0.75 NR1H4 (0.57) POLBNOTUMALDH1A1NPC1RAB9A
SCHEMBL6206620 0.75 HDAC6 (0.55) TPH1NOTUMKDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US claimed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP claimed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US disclosed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE TPH1 4523/4885POLB 2141/4885NOTUM 1481/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE TPH1 4556/4885POLB 1961/4885NOTUM 1492/4885

“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.