SCHEMBL954890

SCHEMBL954890

N#CCc1c(F)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
AR P10275 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36
HSD11B1 P28845 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PGR P06401 1/20 0.35
KIF11 P52732 1/20 0.34
GNRHR P30968 2/20 0.34
P2RX7 Q99572 1/20 0.34
FABP4 P15090 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
CD38 P28907 1/20 0.33
KCNH2 Q12809 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
SCHEMBL952788 0.90 AR (0.41) ARTAAR1PGRRXRARXRB
SCHEMBL2031892 0.82 MEN1 (0.40) SLC6A2SLC6A4STIM1ORAI1AR
SCHEMBL1008876 0.82 TAAR1 (0.39) TAAR1MEN1MAPTHPGDKMT2A
SCHEMBL24146763 0.80 AR (0.45) ARPGR
SCHEMBL12020324 0.80 AR (0.42) ARTAAR1HSD11B1MEN1HPGD
SCHEMBL7103045 0.78 KIF11 (0.38) ARMEN1MAPTHPGDKMT2A
SCHEMBL5407429 0.75 SLC6A2 (0.43) SLC6A2SLC6A4STIM1ORAI1TAAR1
SCHEMBL693177 0.75 SLC6A2 (0.40) SLC6A2SLC6A4STIM1ORAI1AR
SCHEMBL2776951 0.75 STIM1 (0.42) SLC6A2SLC6A4STIM1ORAI1TAAR1
SCHEMBL14405515 0.75 SLC6A2 (0.43) SLC6A2SLC6A4STIM1ORAI1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-19 US disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-21 US disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
EP-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
CN-110730776-A Substituted N-arylethyl-2-arylquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-24 CN disclosed
CN-110709384-A Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-17 CN disclosed
WO-2018189012-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-10-18 WO disclosed
WO-2018189011-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-10-18 WO disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
US-6528657-B2 For use in electroluminescence light emission element and can emit lights of various colors when an energy such as electric energy or electromagnetic energy is applied thereto TAIHO INDUSTRIES CO., LTD. (JP) 2003-03-04 US disclosed
US-20030023099-A1 Novel fluorescent carbazole derivative HIROSE ENGINEERING CO., LTD. (JP) 2003-01-30 US disclosed
US-5686492-A NMR DIAGNOSTIC AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-11-11 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 (6 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX SLC6A2 3264/4885SLC6A4 3468/4885STIM1 1855/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 SLC6A2 2713/4885SLC6A4 3022/4885STIM1 1790/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 SLC6A2 2713/4885SLC6A4 3022/4885STIM1 1790/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX SLC6A2 3264/4885SLC6A4 3468/4885STIM1 1855/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B SLC6A2 63/4885SLC6A4 84/4885STIM1 3224/4885
US-20030023099-A1 Novel fluorescent carbazole derivative CBR3, AANAT, SIRT3 SLC6A2 1288/4885SLC6A4 365/4885STIM1 3604/4885

“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.