SCHEMBL172834

SCHEMBL172834

CCc1cc(C#N)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRG P48443 1/20 0.46
CYP2A6 P11509 1/20 0.44
KIF11 P52732 1/20 0.40
MRGPRX4 Q96LA9 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
XDH P47989 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 2/20 0.36
TACR1 P25103 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
SCHEMBL10233498 0.83 CYP2A6 (0.45) RXRARXRGCYP2A6KIF11CTSS
SCHEMBL17319636 0.83 RXRA (0.47) RXRARXRGKIF11MRGPRX4L3MBTL1
SCHEMBL18255653 0.82 LOXL2 (0.47) RXRARXRGKIF11MRGPRX4L3MBTL1
SCHEMBL16957815 0.81 IDO1 (0.36) RXRARXRGIDO1TACR1
SCHEMBL129227 0.81 RXRA (0.49) RXRARXRGKIF11MRGPRX4L3MBTL1
SCHEMBL24108532 0.81 RXRA (0.46) RXRARXRGKIF11MRGPRX4L3MBTL1
SCHEMBL130428 0.81 RXRA (0.46) RXRARXRGKIF11MRGPRX4L3MBTL1
SCHEMBL169517 0.81 RXRA (0.46) RXRARXRGKIF11MRGPRX4L3MBTL1
SCHEMBL2390020 0.81 RXRA (0.49) RXRARXRGKIF11MRGPRX4L3MBTL1
SCHEMBL29812995 0.81 RXRA (0.46) RXRARXRGKIF11MRGPRX4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 US disclosed
US-20210395217-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-12-23 US disclosed
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
EP-1730152-B1 TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
US-8158640-B2 Tetrahydroquinoline derivatives and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-17 US disclosed
US-8158640-B2 Tetrahydroquinoline derivatives and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-17 US 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-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 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
US-20070082896-A1 Tetrahydroquinoline derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-04-12 US disclosed
US-20070082896-A1 Tetrahydroquinoline derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-04-12 US disclosed
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-02-08 US disclosed
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-02-08 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 (8 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 3924/4885CYP2A6 1237/4885
US-20070082896-A1 Tetrahydroquinoline derivatives and a process for preparing the same CETP, MTTP, NPC1L1 RXRA 2833/4885RXRG 2501/4885CYP2A6 2003/4885
US-20210395217-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, CYP51A1 RXRA 3093/4885RXRG 3012/4885CYP2A6 388/4885
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same CETP, MTTP, NPC1L1 RXRA 2242/4885RXRG 2255/4885CYP2A6 2308/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB RXRA 4140/4885RXRG 3924/4885CYP2A6 1237/4885
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF NXF1, NCOA1, XPO1 RXRA 1911/4885RXRG 1645/4885CYP2A6 2622/4885
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 RXRA 2779/4885RXRG 2428/4885CYP2A6 960/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB RXRA 3987/4885RXRG 3783/4885CYP2A6 707/4885

“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.