SCHEMBL6521607

SCHEMBL6521607

CC(C)[C@@H](C(=O)N1CCC(Oc2ccc(C(F)(F)F)nn2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.40
GPR119 Q8TDV5 4/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
NAMPT P43490 1/20 0.37
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
HCRTR2 O43614 2/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL6522470 0.89 GPR119 (0.41) LIPEGPR119NAMPTHPGD
SCHEMBL6518829 0.87 GPR119 (0.40) LIPEGPR119NAMPT
SCHEMBL6520058 0.85 LIPE (0.57) LIPENAMPTEPHX2
SCHEMBL6525325 0.84 LIPE (0.51) LIPEGPR119NAMPTEPHX2MAPT
Hydrochloric Acid SCHEMBL2775604 0.82 LIPE (0.43) LIPEGPR119LOXL2NAMPTEPHX2
SCHEMBL6521594 0.82 NAMPT (0.47) LIPEGPR119NAMPTEPHX2
SCHEMBL6523526 0.81 ACACB (0.39) LIPELOXL2EPHX2ALDH1A1MAPT
SCHEMBL6518433 0.81 EPHX2 (0.48) LIPENAMPTEPHX2
SCHEMBL6525990 0.81 NAMPT (0.46) LIPEGPR119NAMPTP2RX3
SCHEMBL6523469 0.80 MMP1 (0.49) LIPEGPR119NAMPT

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-20210177804-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF HALLUCINATIONS ASSOCIATED WITH A NEURODEGENERATIVE DISEASE AXOVANT SCIENCES GMBH (CH) 2021-06-17 US disclosed
US-20190160043-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF REM SLEEP BEHAVIOR DISORDER AXOVANT SCIENCES LTD. (BM) 2019-05-30 US disclosed
US-20190151287-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF HALLUCINATIONS ASSOCIATED WITH A NEURODEGENERATIVE DISEASE AXOVANT SCIENCES LTD. (BM) 2019-05-23 US disclosed
US-10022355-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of REM sleep behavior disorder AXOVANT SCIENCES GMBH (CH) 2018-07-17 US disclosed
US-20160361296-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF REM SLEEP BEHAVIOR DISORDER AXOVANT SCIENCES GMBH (CH) 2016-12-15 US disclosed
US-8754238-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2014-06-17 US disclosed
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
US-20050080124-A1 Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot ARENA PHARMACEUTIALS, INC. 2005-04-14 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 (7 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-20190160043-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF REM SLEEP BEHAVIOR DISORDER HTR2A, HTR2C, HTR2B LIPE 3326/4885GPR119 224/4885LOXL2 2261/4885
US-20050080124-A1 Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot HTR2C, HTR2A, HTR5A LIPE 340/4885GPR119 94/4885LOXL2 839/4885
US-10022355-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of REM sleep behavior disorder HTR2A, HTR2C, HTR2B LIPE 3326/4885GPR119 224/4885LOXL2 2261/4885
US-20160361296-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF REM SLEEP BEHAVIOR DISORDER HTR2A, HTR2C, HTR2B LIPE 3326/4885GPR119 224/4885LOXL2 2261/4885
US-20210177804-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF HALLUCINATIONS ASSOCIATED WITH A NEURODEGENERATIVE DISEASE HTR2A, HTR5A, HTR1A LIPE 2099/4885GPR119 157/4885LOXL2 2920/4885
US-20190151287-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF HALLUCINATIONS ASSOCIATED WITH A NEURODEGENERATIVE DISEASE HTR2A, HTR5A, HTR1A LIPE 2099/4885GPR119 157/4885LOXL2 2920/4885
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 LIPE 4566/4885GPR119 1336/4885LOXL2 2900/4885

“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.