SCHEMBL169517

SCHEMBL169517

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRG P48443 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
XDH P47989 1/20 0.40
IDO1 P14902 2/20 0.40
KIF11 P52732 1/20 0.40
MAOB P27338 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MRGPRX4 Q96LA9 4/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
NSD2 O96028 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) RXRARXRGXDHIDO1KIF11
SCHEMBL24108532 0.81 RXRA (0.46) RXRARXRGXDHIDO1KIF11
SCHEMBL172834 0.81 RXRA (0.46) RXRARXRGXDHIDO1KIF11
SCHEMBL29812995 0.81 RXRA (0.46) RXRARXRGXDHIDO1KIF11
SCHEMBL129227 0.81 RXRA (0.49) RXRARXRGXDHIDO1KIF11
SCHEMBL130428 0.81 RXRA (0.46) RXRARXRGXDHIDO1KIF11
SCHEMBL172532 0.81 RXRA (0.46) RXRARXRGXDHIDO1KIF11
SCHEMBL2390020 0.81 RXRA (0.49) RXRARXRGXDHIDO1KIF11
SCHEMBL22506807 0.80 LOXL2 (0.58) LOXL2IDO1L3MBTL1MEN1KMT2A
SCHEMBL17817823 0.80 LOXL2 (0.58) LOXL2IDO1MEN1KMT2ANSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103172562-B Trisubstituted amine compounds as inhibitors of cholesteryl ester transfer protein CETP TANABE SEIYAKU CO 2015-04-22 CN 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
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1996564-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Incorporated (US) 2008-12-03 EP disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
WO-2007105050-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
WO-2007105050-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US 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
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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 (3 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB RXRA 4140/4885RXRG 3924/4885LOXL2 591/4885
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP RXRA 530/4885RXRG 426/4885LOXL2 1010/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB RXRA 3987/4885RXRG 3783/4885LOXL2 409/4885

“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.