SCHEMBL3947124

SCHEMBL3947124

O=CCc1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALPL P05186 3/20 0.37
ADRA2A P08913 5/20 0.35
MCHR1 Q99705 5/20 0.35
NPY5R Q15761 2/20 0.35
PTPN1 P18031 1/20 0.35
USP28 Q96RU2 1/20 0.34
USP25 Q9UHP3 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
APP P05067 1/20 0.33
SLC6A4 P31645 1/20 0.32

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
SCHEMBL3939396 0.84 EPHX2 (0.39) EPHX2MAOAMAOBALPLADRA2A
SCHEMBL4140867 0.82 EPHX2 (0.38) EPHX2MAOAMAOBALPLADRA2A
SCHEMBL12621145 0.81 EPHX2 (0.43) EPHX2MAOAMAOBALPLADRA2A
SCHEMBL211296 0.80 EPHX2 (0.41) EPHX2MAOAMAOBALPLADRA2A
SCHEMBL29555215 0.80 EPHX2 (0.41) EPHX2MAOAMAOBALPLADRA2A
SCHEMBL29383173 0.78 PYCR1 (0.48)
SCHEMBL1824266 0.78 PYCR1 (0.48)
SCHEMBL211400 0.78 EPHX2 (0.43) EPHX2MAOAMAOBALPLADRA2A
SCHEMBL2261248 0.78 EPHX2 (0.40) EPHX2MAOAMAOBALPLADRA2A
SCHEMBL31717270 0.78 EPHX2 (0.40) EPHX2MAOAMAOBALPLADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790865-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-03-17 EP disclosed
WO-2019243999-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN 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
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
CN-1582281-A MCH receptor antagonists TAISHO PHARMACEUTICAL CO LTD (JP) 2005-02-16 CN disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 EPHX2 1053/4885MAOA 272/4885MAOB 168/4885
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 EPHX2 3412/4885MAOA 151/4885MAOB 110/4885

“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.