SCHEMBL56438

SCHEMBL56438

CCCC(C=O)NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.50
CTSL P07711 4/20 0.37
CTSB P07858 4/20 0.37
CTSH P09668 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PLA2G2C Q5R387 1/20 0.35

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
SCHEMBL5971426 0.88 CTSK (0.60) CTSKCTSLCTSBCTSHPLA2G2C
SCHEMBL5971430 0.88 CTSK (0.60) CTSKCTSLCTSBCTSHPLA2G2C
SCHEMBL16478000 0.86 CTSK (0.54) CTSKCTSLCTSBCTSHPLA2G2C
SCHEMBL328961 0.83 CTSK (0.50) CTSKCTSLCTSBCTSHTAS1R3
SCHEMBL4786392 0.83 CTSK (0.50) CTSKCTSLCTSBCTSHTAS1R3
SCHEMBL936834 0.82
SCHEMBL23446445 0.81 CTSK (0.38) CTSKCTSLCTSBCTSH
SCHEMBL13954515 0.81 KDM4E (0.41) CTSKCTSLCTSBCTSH
SCHEMBL24629267 0.81 CTSK (0.38) CTSKCTSLCTSBCTSH
SCHEMBL13245698 0.81 CTSK (0.49) CTSKCTSLCTSBCTSHTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP claimed
CN-101223140-A Piperidine derivatives useful in the diagnostic and therapeutic treatment of diseases depending on renin activity NOVARTIS AG (CH) 2008-07-16 CN claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
WO-2012042541-A2 METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-04-05 WO disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
CN-101223140-A Piperidine derivatives useful in the diagnostic and therapeutic treatment of diseases depending on renin activity NOVARTIS AG (CH) 2008-07-16 CN disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 CTSK 1023/4885CTSL 496/4885CTSB 589/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CTSK 863/4885CTSL 432/4885CTSB 485/4885

“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.