SCHEMBL4110909

SCHEMBL4110909

OCCCc1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
USP28 Q96RU2 1/20 0.38
USP25 Q9UHP3 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALPL P05186 4/20 0.36
ADRA2A P08913 4/20 0.35
MCHR1 Q99705 4/20 0.35
NPY5R Q15761 2/20 0.35
PTPN1 P18031 1/20 0.34
CA2 P00918 1/20 0.34
WDR5 P61964 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HRH4 Q9H3N8 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
SCHEMBL3945662 0.95 EPHX2 (0.39) EPHX2USP28USP25MAOAMAOB
SCHEMBL30469444 0.83 EPHX2 (0.43) EPHX2USP28USP25MAOAMAOB
SCHEMBL211400 0.83 EPHX2 (0.43) EPHX2USP28USP25MAOAMAOB
SCHEMBL18085147 0.82 TSHR (0.40) EPHX2ALPLADRA2AMCHR1NPY5R
SCHEMBL30294097 0.82 TSHR (0.40) EPHX2ALPLADRA2AMCHR1NPY5R
SCHEMBL20563265 0.81 HTR2A (0.41) EPHX2MAOAMAOBALPLADRA2A
SCHEMBL4140867 0.81 EPHX2 (0.38) EPHX2USP28USP25MAOAMAOB
SCHEMBL3940950 0.79 EPHX2 (0.43) EPHX2MAOAMAOBPTPN1FFAR4
SCHEMBL211296 0.78 EPHX2 (0.41) EPHX2USP28USP25MAOAMAOB
SCHEMBL29555215 0.78 EPHX2 (0.41) EPHX2USP28USP25MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 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
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 (1 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-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 3412/4885USP28 3149/4885USP25 2833/4885

“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.