SCHEMBL5849554

SCHEMBL5849554

O=C(O)C1CCC(CNS(=O)(=O)c2ccccc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP2C9 P11712 1/20 0.57
GBA1 P04062 2/20 0.52
POLB P06746 2/20 0.48
NPY5R Q15761 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
VCP P55072 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL5848417 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1CYP2C9GBA1
SCHEMBL13714236 0.84 NPY1R (0.62) MEN1KMT2AALDH1A1CYP2C9GBA1
SCHEMBL3852966 0.84 NPY1R (0.62) MEN1KMT2AALDH1A1CYP2C9GBA1
SCHEMBL6773852 0.83 NPY5R (0.65) MEN1KMT2AALDH1A1CYP2C9GBA1
SCHEMBL6773850 0.83 NPY5R (0.65) MEN1KMT2AALDH1A1CYP2C9GBA1
SCHEMBL14606694 0.82 GBA1 (0.53) ALDH1A1GBA1NPY5RCNR1CNR2
SCHEMBL8888802 0.82 NPY5R (0.64) MEN1KMT2AALDH1A1CYP2C9GBA1
SCHEMBL28802154 0.82 ALDH1A1 (0.49) ALDH1A1CYP2C9GBA1HDAC3HDAC4
SCHEMBL5205575 0.82 GBA1 (0.79) MEN1KMT2AALDH1A1CYP2C9GBA1
SCHEMBL3851236 0.82 GBA1 (0.79) MEN1KMT2AALDH1A1CYP2C9GBA1

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 8 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-1202986-B1 AMINE AND AMIDE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-10-12 EP 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 MEN1 2088/4885KMT2A 959/4885ALDH1A1 3592/4885
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 MEN1 1939/4885KMT2A 1036/4885ALDH1A1 3470/4885

“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.