SCHEMBL361941

SCHEMBL361941

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 1.00
ADRA2A P08913 13/20 1.00
HTR1A P08908 1/20 1.00
ADRA1A P35348 1/20 1.00
HRH1 P35367 1/20 1.00
HTR2B P41595 1/20 1.00
NPY5R Q15761 1/20 1.00

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
SCHEMBL12436915 1.00 MCHR1 (1.00) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL29707227 1.00 MCHR1 (1.00) MCHR1ADRA2AHTR1AADRA1AHRH1
Hydrochloric Acid SCHEMBL29707253 0.99 MCHR1 (0.98) MCHR1ADRA2AHTR1AADRA1AHRH1
Hydrochloric Acid SCHEMBL3939225 0.99 MCHR1 (0.98) MCHR1ADRA2AHTR1AADRA1AHRH1
Hydrochloric Acid SCHEMBL3939223 0.99 MCHR1 (0.98) MCHR1ADRA2AHTR1AADRA1AHRH1
Trifluoroacetic Acid SCHEMBL3943121 0.95 MCHR1 (0.91) MCHR1ADRA2AHTR1AADRA1AHRH1
Trifluoroacetic Acid SCHEMBL3943117 0.95 MCHR1 (0.91) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13794169 0.93 MCHR1 (0.86) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793861 0.93 MCHR1 (0.86) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793414 0.92 MCHR1 (0.84) MCHR1ADRA2AHTR1AADRA1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2022-06-23 US disclosed
EP-2582709-B1 AZOLOPYRIDIN-3-ONE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI SA (FR) 2018-01-24 EP disclosed
EP-2683698-B1 BENZYL-OXATHIAZINE DERIVATES SUBSTITUTED WITH ADAMANTANE OR NORADAMANTANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI SA (FR) 2017-10-04 EP disclosed
US-20170071949-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2017-03-16 US disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 EP disclosed
EP-2203415-B1 (CYCLOPROPYL-PHENYL)-PHENYL-OXALAMIDES, METHOD FOR THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINES SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2203416-B1 (CARBOXY ALKYLENE-PHENYL)-PHENYL-OXALAMIDES, METHOD FOR THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINES SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2144885-B1 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI SA (FR) 2016-06-29 EP disclosed
EP-2847191-B1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-06-15 EP disclosed
EP-2144891-B1 5-OXO-ISOXAZOLES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI SA (FR) 2016-06-15 EP disclosed
WO-2007042178-A1 DIACYL INDAZOL DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI-AVENTIS (DE) 2007-04-19 WO disclosed
WO-2007039177-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039175-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039171-A1 4-OXY-N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039176-A1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039172-A1 PHENYL- AND PYRIDYL-I, 2 , 4 -OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039173-A1 CYCLIC N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US 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 (3 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-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY HTR2B, HTR3B, HTR5A MCHR1 242/4885ADRA2A 63/4885HTR1A 6/4885
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R MCHR1 1/4885ADRA2A 131/4885HTR1A 34/4885
US-20170071949-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY HTR2B, HTR3B, HTR5A MCHR1 242/4885ADRA2A 63/4885HTR1A 6/4885

“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.