SCHEMBL5848005

SCHEMBL5848005

NCCCC[C@H](NC1(C(N)=O)CCCc2ccccc21)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
ACE P12821 2/20 0.41
CPB2 Q96IY4 3/20 0.37
CTSB P07858 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KIF11 P52732 2/20 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
SCHEMBL10998922 0.73 HDAC9 (0.46) KDM1A
SCHEMBL9432967 0.68 CTSS (0.43) KDM1ACTSB
SCHEMBL11421572 0.67 HDAC9 (0.43) KDM1AKIF11
SCHEMBL1593169 0.67 KDM1A (0.38) KDM1AKIF11
SCHEMBL4040495 0.67 SIGMAR1 (0.35) KDM1AKIF11
SCHEMBL5571461 0.66 MMP2 (0.44) MMP2MMP9ACECPB2CTSB
SCHEMBL11339509 0.65 HDAC9 (0.46) KDM1A
SCHEMBL6578880 0.65 MMP2 (0.56) MMP2MMP9ACECPB2
SCHEMBL6578877 0.65 MMP2 (0.56) MMP2MMP9ACECPB2
SCHEMBL28136912 0.65 KDM1A (0.45) KDM1AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071195-B2 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-07-04 US disclosed
US-20060052388-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders DAX SCOTT L 2006-03-09 US disclosed
EP-1493742-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-01-05 EP disclosed
US-20020115715-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders DAX SCOTT L (US) 2002-08-22 US disclosed
EP-1202986-A1 AMINE AND AMIDE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-05-08 EP disclosed
US-6380224-B1 FOR THERAPY OF EATING DISORDERS, OBESITY, BULIMIA NERVOSA, DIABETES, MEMORY LOSS, EPILEPTIC SEIZURES, MIGRAINE, SLEEP DISTURBANCES, PAIN, SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION AND ANXIETY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-04-30 US disclosed
WO-2001009120-A1 AMINE AND AMIDE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-02-08 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-20060052388-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders NPY5R, NPY1R, NPY2R KDM1A 853/4885MMP2 3844/4885MMP9 4482/4885
US-20020115715-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders NPY5R, NPY1R, NPY2R KDM1A 806/4885MMP2 3877/4885MMP9 4570/4885

“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.