SCHEMBL3940950

SCHEMBL3940950

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
FFAR1 O14842 6/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
POLB P06746 1/20 0.39
PDPK1 O15530 1/20 0.39
FFAR4 Q5NUL3 3/20 0.38
GPR17 Q13304 1/20 0.38
PTPN1 P18031 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL30745861 0.85 EPHX2 (0.45) EPHX2MAOAMAOBPTGDR2PTPN1
SCHEMBL3937590 0.85 EPHX2 (0.45) EPHX2MAOAMAOBPTGDR2PTPN1
SCHEMBL20562481 0.80 POLB (0.53) FFAR1POLBFFAR4
SCHEMBL4110909 0.79 EPHX2 (0.40) EPHX2MAOAMAOBFFAR4PTPN1
SCHEMBL20563265 0.78 HTR2A (0.41) EPHX2MAOAMAOB
SCHEMBL30055829 0.78 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL1508357 0.78 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL211400 0.78 EPHX2 (0.43) EPHX2MAOAMAOBPTGDR2PTPN1
SCHEMBL12621145 0.78 EPHX2 (0.43) EPHX2MAOAMAOBPTPN1
SCHEMBL30469444 0.78 EPHX2 (0.43) EPHX2MAOAMAOBPTGDR2PTPN1

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 5 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
CN-1582281-A MCH receptor antagonists TAISHO PHARMACEUTICAL CO LTD (JP) 2005-02-16 CN 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 3412/4885FFAR1 397/4885MAOA 151/4885

“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.