SCHEMBL82564

SCHEMBL82564

CC(=O)N1CCC(CCCCNC(=O)C=Cc2cccnc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2C9 P11712 1/20 0.78
HDAC3 O15379 5/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC2 Q92769 4/20 0.53
NCOR2 Q9Y618 4/20 0.53
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
BRD4 O60885 1/20 0.49

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
SCHEMBL82563 1.00 NAMPT (0.78) NAMPTCYP3A4CYP2C9HDAC3HDAC1
Biphenyl SCHEMBL27464525 0.95 NAMPT (0.77) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL28376292 0.91 NAMPT (0.82) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL30292612 0.88 NAMPT (0.72) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL20095358 0.88 NAMPT (0.72) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL5470447 0.88 NAMPT (0.72) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL5470442 0.88 NAMPT (0.72) NAMPTCYP3A4CYP2C9HDAC3HDAC1
Daporinad SCHEMBL31181445 0.88 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC1
Daporinad SCHEMBL156944 0.88 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC1
Daporinad SCHEMBL82367 0.88 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4607319-B2 2011-01-05 JP claimed
JP-4599062-B2 2010-12-15 JP claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US claimed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 EP claimed
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2009-12-31 US claimed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 EP claimed
WO-2009109610-A1 USE OF NAD INFORMATION INHIBITORS FOR THE TREATMENT OF ISCHEMIA-REPERFUSION INJURY TOPOTARGET SWITZERLAND S.A. (CH) 2009-09-11 WO claimed
EP-2073808-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES Topotarget Switzerland SA (CH) 2009-07-01 EP claimed
WO-2008025857-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2008-03-06 WO claimed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US claimed
JP-2005528361-A 2005-09-22 JP claimed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 EP claimed
CN-1152032-C Pyridylalkane-and pyridylalkyne-acid amides as cytostatics and immunosuppressants ���ָ���ҩ�ɷ����޹�˾ 2004-06-02 CN claimed
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives KLINGE PHARMA GMBH 2004-01-15 US claimed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 WO claimed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 EP claimed
EP-0923570-B1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-25 EP claimed
JP-2002512190-A 2002-04-23 JP claimed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP claimed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 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 (4 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-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 NAMPT 122/4885CYP3A4 2342/4885CYP2C9 3940/4885
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives IDO1, ALK, ARG1 NAMPT 350/4885CYP3A4 1520/4885CYP2C9 2017/4885
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT NAMPT 2/4885CYP3A4 905/4885CYP2C9 810/4885
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES NAMPT, NNMT, NQO2 NAMPT 1/4885CYP3A4 1914/4885CYP2C9 2782/4885

“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.