SCHEMBL5848374

SCHEMBL5848374

COc1ccc2c(c1)CCC(=O)C2=Cc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.73
CYP19A1 P11511 9/20 0.71
CYP11B2 P19099 7/20 0.71
CYP11B1 P15538 6/20 0.71
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DAPK3 O43293 1/20 0.51

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
SCHEMBL6826664 0.85 MIF (0.70) MIFCYP19A1ALDH1A1LMNAMAPT
SCHEMBL6827732 0.85 MIF (1.00) MIFCYP19A1CYP11B2CYP11B1ALDH1A1
SCHEMBL6827735 0.85 MIF (1.00) MIFCYP19A1CYP11B2CYP11B1ALDH1A1
SCHEMBL4226034 0.83 CYP19A1 (1.00) MIFCYP19A1CYP11B2CYP11B1
SCHEMBL4226031 0.83 CYP19A1 (1.00) MIFCYP19A1CYP11B2CYP11B1
SCHEMBL4226036 0.83 CYP19A1 (1.00) MIFCYP19A1CYP11B2CYP11B1
Hydrochloric Acid SCHEMBL4222413 0.82 CYP19A1 (0.97) MIFCYP19A1CYP11B2CYP11B1
Hydrochloric Acid SCHEMBL4231776 0.82 CYP19A1 (0.97) MIFCYP19A1CYP11B2CYP11B1
Hydrochloric Acid SCHEMBL4222419 0.82 CYP19A1 (0.97) MIFCYP19A1CYP11B2CYP11B1
SCHEMBL6822394 0.79 MIF (0.85) MIFCYP19A1CYP11B2CYP11B1ALDH1A1

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 10 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
EP-1076644-A1 N-SUBSTITUTED AMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2001-02-21 EP 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
US-6140354-A FOR TREATMENT OF DISORDERS OR DISEASE STATES CAUSED BY EATING DISORDERS, OBESITY, BULIMIA NERVOSA, DIABETES, HYPERTENSION, MEMORY LOSS, EPILEPTIC SEIZURES, MIGRAINE, SLEEP DISTURBANCES, PAIN, SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-31 US disclosed
WO-1999055667-A1 N-SUBSTITUTED AMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-11-04 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 MIF 4705/4885CYP19A1 468/4885CYP11B2 1872/4885
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 MIF 4702/4885CYP19A1 460/4885CYP11B2 1746/4885

“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.