SCHEMBL129227

SCHEMBL129227

N#Cc1cc(CO)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.49
RXRG P48443 2/20 0.49
RXRB P28702 1/20 0.42
KIF11 P52732 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
MRGPRX4 Q96LA9 4/20 0.39
GRM5 P41594 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
XDH P47989 1/20 0.38
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
IDO1 P14902 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.35
CES2 O00748 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17319636 0.83 RXRA (0.47) RXRARXRGKIF11TAS2R14MRGPRX4
SCHEMBL29812995 0.81 RXRA (0.46) RXRARXRGKIF11TAS2R14MRGPRX4
SCHEMBL2390020 0.81 RXRA (0.49) RXRARXRGKIF11TAS2R14MRGPRX4
SCHEMBL172834 0.81 RXRA (0.46) RXRARXRGKIF11TAS2R14MRGPRX4
SCHEMBL172532 0.81 RXRA (0.46) RXRARXRGKIF11TAS2R14MRGPRX4
SCHEMBL24108532 0.81 RXRA (0.46) RXRARXRGKIF11TAS2R14MRGPRX4
SCHEMBL169517 0.81 RXRA (0.46) RXRARXRGKIF11TAS2R14MRGPRX4
SCHEMBL130428 0.81 RXRA (0.46) RXRARXRGKIF11TAS2R14MRGPRX4
SCHEMBL3590487 0.80 RXRA (0.59) RXRARXRGRXRBKIF11PTGDR2
SCHEMBL29918281 0.80 RXRA (0.43) RXRARXRGRXRBKIF11TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2149563-B9 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND KOWA CO (JP) 2015-04-22 EP disclosed
CN-103172562-B Trisubstituted amine compounds as inhibitors of cholesteryl ester transfer protein CETP TANABE SEIYAKU CO 2015-04-22 CN disclosed
EP-2149563-B1 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND KOWA CO (JP) 2015-01-07 EP disclosed
CN-101374817-B Trisubstituted amine compounds as inhibitors of cholesteryl ester transfer protein CETP MITSUBISHI TANABE PHARMA CORP 2014-07-30 CN disclosed
CN-103172562-A Trisubstituted amine compounds as inhibitors of cholesteryl ester transfer protein CETP TANABE SEIYAKU CO 2013-06-26 CN disclosed
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-2138489-B9 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME KOWA CO (JP) 2012-10-24 EP disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
EP-1533292-B1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC (JP) 2007-02-14 EP disclosed
CN-1289467-C Dibenzylamine compound and pharmaceutical use thereof JAPAN TOBACCO INC (JP) 2006-12-13 CN disclosed
JP-2006045095-A 3-FORMYL-5-TRIFLUOROMETHYLBENZONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME CENTRAL GLASS CO LTD 2006-02-16 JP disclosed
JP-2005272324-A 3-FORMYL-5-TRIFLUOROMETHYLBENZONITRILE DERIVATIVE AND ITS MANUFACTURING METHOD CENTRAL GLASS CO LTD 2005-10-06 JP disclosed
EP-1533292-A1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-05-25 EP disclosed
CN-1617850-A Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC (JP) 2005-05-18 CN disclosed
US-20050059810-A1 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC 2005-03-17 US disclosed
US-4835154-A 1-aralykyl-5-piperazinylmethyl-2-mercaptoimidazoles and 2-alkylthioimidazoles and their use as dopamine-βhydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1989-05-30 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 (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-20050059810-A1 Dibenzylamine compound and medicinal use thereof CETP, CES1, APOB RXRA 2254/4885RXRG 2391/4885RXRB 1723/4885

“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.