SCHEMBL5205575

SCHEMBL5205575

O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.79
KMT2A Q03164 8/20 0.77
ALDH1A1 P00352 8/20 0.77
MEN1 O00255 7/20 0.77
CYP2C9 P11712 1/20 0.77
POLB P06746 2/20 0.67
PKM P14618 1/20 0.61
NPY5R Q15761 1/20 0.60
HPGD P15428 1/20 0.58
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL3851236 1.00 GBA1 (0.79) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL2470122 0.89 GBA1 (1.00) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL3853060 0.87 ALDH1A1 (1.00) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL8484438 0.86 GBA1 (0.70) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL6584417 0.85 HDAC3 (0.78) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL8208140 0.85 HDAC3 (0.78) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL5028416 0.84 KMT2A (0.70) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL5028418 0.84 KMT2A (0.70) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL8394068 0.82 GBA1 (0.86) GBA1KMT2AALDH1A1MEN1POLB
SCHEMBL3811045 0.82 GBA1 (0.86) GBA1KMT2AALDH1A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306085-B1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor NEUROGEN CORP (US) 2007-02-14 EP disclosed
EP-1306085-B1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor NEUROGEN CORP (US) 2007-02-14 EP disclosed
US-7034034-B2 Substituted 2-cyclohexyl-4-phenyl-1H-imidazole derivatives NEUROGEN CORPORATION (US) 2006-04-25 US disclosed
US-6987188-B2 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders DAX SCOTT 2006-01-17 US disclosed
US-20050054709-A1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders DAX SCOTT (US) 2005-03-10 US disclosed
US-6841552-B1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptide Y receptors ligands useful in the treatment of obesity and other disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-01-11 US disclosed
EP-1076644-B1 N-SUBSTITUTED AMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-06-23 EP disclosed
US-20030144290-A1 Substituted 2-cyclohexyl-4-phenyl-1H-imidazole derivatives NEUROGEN CORPORATION 2003-07-31 US disclosed
EP-1306085-A1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor Neurogen Corporation (US) 2003-05-02 EP disclosed
EP-1177172-A1 3a,4,5,9b-TETRAHYDRO-1H-BENZ e]INDOL-2-YL AMINE-DERIVED NEUROPEPTIDE Y RECEPTORS LIGANDS USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-02-06 EP 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-2000068197-A1 3a,4,5,9b-TETRAHYDRO-1H-BENZ[e]INDOL-2-YL AMINE-DERIVED NEUROPEPTIDE Y RECEPTORS LIGANDS USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-11-16 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-20030144290-A1 Substituted 2-cyclohexyl-4-phenyl-1H-imidazole derivatives NPY5R, NPY4R, NPY1R GBA1 3318/4885KMT2A 2283/4885ALDH1A1 4260/4885
US-20050054709-A1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders NPY1R, NPY4R, NPY2R GBA1 2790/4885KMT2A 3064/4885ALDH1A1 1667/4885

“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.