SCHEMBL3616775

SCHEMBL3616775

CCC(N)C(O)c1nc2ncccc2o1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.44
DAGLA Q9Y4D2 6/20 0.42
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
SHMT2 P34897 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CES1 P23141 1/20 0.38
SORD Q00796 1/20 0.38

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
SCHEMBL3616777 1.00 FAAH (0.44) FAAHDAGLANPC1RAB9ASHMT2
SCHEMBL5460197 1.00 FAAH (0.44) FAAHDAGLANPC1RAB9ASHMT2
Hydrochloric Acid SCHEMBL6701346 0.99 FAAH (0.43) FAAHDAGLANPC1RAB9ASHMT2
SCHEMBL7732287 0.81 DAGLA (0.50) FAAHDAGLANPC1RAB9AHSD17B10
SCHEMBL7261197 0.81 SORD (0.43) FAAHDAGLANPC1RAB9ASHMT2
SCHEMBL13505064 0.80 FAAH (0.49) FAAHDAGLANPC1RAB9ASHMT2
SCHEMBL5422053 0.78 NPC1 (0.41) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL6465610 0.78 NPC1 (0.41) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL5424291 0.78 NPC1 (0.41) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL3963205 0.77 SORD (0.49) FAAHDAGLANPC1RAB9ASHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
EP-1697355-A2 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-09-06 EP disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
WO-2005063742-A2 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-07-14 WO disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US 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 (8 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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE FAAH 597/4885DAGLA 1881/4885NPC1 36/4885
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS FAAH 341/4885DAGLA 1536/4885NPC1 264/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE FAAH 597/4885DAGLA 1881/4885NPC1 36/4885
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS FAAH 341/4885DAGLA 1536/4885NPC1 264/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE FAAH 602/4885DAGLA 1772/4885NPC1 37/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS FAAH 856/4885DAGLA 2816/4885NPC1 284/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE FAAH 213/4885DAGLA 756/4885NPC1 123/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS FAAH 1228/4885DAGLA 3515/4885NPC1 689/4885

“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.