SCHEMBL2374698

SCHEMBL2374698

[CH2]C1(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.54
MAOB P27338 7/20 0.54
OPRL1 P41146 4/20 0.40
OPRM1 P35372 3/20 0.40
OPRK1 P41145 2/20 0.40
KDM1A O60341 4/20 0.39
CALM1 P0DP23 1/20 0.39
HSD11B1 P28845 1/20 0.38
OPRD1 P41143 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6672637 0.91 MAOA (0.50) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL5638995 0.91 MAOA (0.50) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL6494476 0.89 MAOA (0.48) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL5028981 0.79 MAOA (0.43) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL23343753 0.70 OPRL1 (0.65) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL1318340 0.70 MAOA (1.00) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL2374703 0.70 MAOA (0.54) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL156160 0.70 MAOA (0.54) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL8347115 0.70 MAOA (0.54) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL506118 0.70 MAOB (0.54) MAOAMAOBOPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865940-B1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2013-02-13 EP claimed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US claimed
US-7488848-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-02-10 US claimed
CN-101180266-A Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORP (US) 2008-05-14 CN claimed
EP-1865940-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Applera Corporation (US) 2007-12-19 EP claimed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US claimed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP claimed
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 US claimed
JP-2006526657-A 2006-11-24 JP claimed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US claimed
WO-2006102243-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS APPLERA CORPORATION (US) 2006-09-28 WO claimed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US claimed
EP-1664003-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 EP claimed
WO-2005028454-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO claimed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB MAOA 1252/4885MAOB 614/4885OPRL1 2622/4885
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS MAOA 1576/4885MAOB 653/4885OPRL1 3353/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE MAOA 490/4885MAOB 335/4885OPRL1 1587/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS MAOA 2142/4885MAOB 881/4885OPRL1 3061/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE MAOA 1743/4885MAOB 688/4885OPRL1 2750/4885

“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.