SCHEMBL4040178

SCHEMBL4040178

CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)C(NC(C)=O)C2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.60
CTSS P25774 5/20 0.41
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41

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
SCHEMBL4041782 0.99 CTSK (0.60) CTSKCTSSCTSVCTSL
SCHEMBL4042708 0.92 CTSK (0.70) CTSKCTSSCTSVCTSL
SCHEMBL4038905 0.92 CTSK (0.67) CTSKCTSSCTSVCTSL
SCHEMBL4044410 0.91 CTSK (0.71) CTSKCTSSCTSVCTSL
SCHEMBL4043707 0.90 CTSK (0.60) CTSKCTSSCTSVCTSL
SCHEMBL4045530 0.90 CTSK (0.64) CTSKCTSSCTSVCTSL
SCHEMBL4041035 0.90 CTSK (0.64) CTSKCTSSCTSVCTSL
SCHEMBL4045280 0.89 CTSK (0.61) CTSKCTSSCTSVCTSL
SCHEMBL4046130 0.89 CTSK (0.57) CTSKCTSSCTSVCTSL
SCHEMBL4046785 0.88 CTSK (0.57) CTSKCTSSCTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701718-A4 SUBSTITUTED MELATONIN DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE ABRAXIS BIOSCIENCE LLC (US) 2009-06-24 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1701718-A2 SUBSTITUTED MELATONIN DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE Abraxis Bioscience, Inc. (US) 2006-09-20 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
WO-2005062992-A2 SUBSTITUTED MELATONIN DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE ABRAXIS BIOSCIENCE, INC (US) 2005-07-14 WO claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
US-7253281-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles BENTLEY JONATHAN M 2007-05-10 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles BENTLEY JONATHAN M 2005-10-27 US disclosed
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 EP disclosed
US-6933387-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2005-08-23 US disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 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 (6 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-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR CTSK 4478/4885CTSS 3805/4885CTSV 4484/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 CTSK 4305/4885CTSS 4262/4885CTSV 4392/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR CTSK 4478/4885CTSS 3805/4885CTSV 4484/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 CTSK 3959/4885CTSS 2804/4885CTSV 3850/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A CTSK 4108/4885CTSS 3235/4885CTSV 4688/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CTSV 29/4885

“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.