SCHEMBL799008

SCHEMBL799008

CCc1cc(C)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
RAPGEF4 Q8WZA2 2/20 0.40
GRIN2B Q13224 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
IDH1 O75874 1/20 0.38
DAO P14920 1/20 0.36
NOTUM Q6P988 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2C P28335 1/20 0.35
GABRB3 P28472 2/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
NFE2L2 Q16236 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL14570493 0.86 IDO1 (0.43) IDO1RAPGEF4GRIN2BNOS3NOS1
SCHEMBL26074528 0.86 IDO1 (0.46) IDO1DAONOTUMHTR2AHTR2B
SCHEMBL148275 0.86 IDO1 (0.52) IDO1DAONOTUMHTR2AHTR2B
SCHEMBL14612469 0.85 HSPA5 (0.35) RAPGEF4GRIN2BIDH1PGK1PGK2
SCHEMBL16767879 0.84 GRIN2B (0.44) IDO1RAPGEF4GRIN2BNOS3NOS1
SCHEMBL13983514 0.83 NOS1 (0.43) IDO1RAPGEF4GRIN2BNOS3NOS1
SCHEMBL16703940 0.83 GRIN2B (0.34) RAPGEF4GRIN2BIDH1PGK1PGK2
SCHEMBL806121 0.83 IDO1 (0.41) IDO1RAPGEF4GRIN2BNOS3NOS1
SCHEMBL799078 0.81 IDO1 (0.39) IDO1RAPGEF4GRIN2BNOS3NOS1
SCHEMBL799344 0.81 RXRA (0.45) IDO1RAPGEF4GRIN2BNOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381112-A1 Compositions and Methods of Manufacturing Amphiphilic Block Copolymers that Form Nanoparticles in Situ VACCITECH NORTH AMERICA, INC. (US) 2023-11-30 US disclosed
US-20230337520-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-08-25 US disclosed
US-20220140252-A1 NOVEL ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-05-05 US disclosed
US-20220020935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-01-20 US disclosed
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 US disclosed
WO-2020249669-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-12-17 WO disclosed
US-10820591-B2 Substituted sulfonyl amides for controlling animal pests BAYER AKTIENGESELLSCHAFT (DE) 2020-11-03 US disclosed
US-20110251238-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE BIOPHARMED (FR) 2011-10-13 US disclosed
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2011-09-08 US disclosed
US-7781443-B2 cholesteryl ester transfer protein (CETP) anatgonists such as 2R,4S)-4-{[3,5-Bis(trifluoromethyl)benzyl]-[5-(morpholin-4-yl)pyrimidin-2-yl]}amino-2-ethyl-6-methoxy-3,4-dihydro-2H-[1,5]naphthyridine-1-carboxylic acid ethyl ester, having improved bioavailability MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-24 US disclosed
US-7781443-B2 cholesteryl ester transfer protein (CETP) anatgonists such as 2R,4S)-4-{[3,5-Bis(trifluoromethyl)benzyl]-[5-(morpholin-4-yl)pyrimidin-2-yl]}amino-2-ethyl-6-methoxy-3,4-dihydro-2H-[1,5]naphthyridine-1-carboxylic acid ethyl ester, having improved bioavailability MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-24 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1501791-B1 AMINO ACID ANALOGUES BAKER MED RES INST (AU) 2009-01-21 EP disclosed
EP-2003509-A2 Pattern forming method FUJIFILM Corporation (JP) 2008-12-17 EP 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
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 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 (13 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-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 IDO1 2340/4885RAPGEF4 4038/4885GRIN2B 820/4885
US-20110251238-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE PPARA, PPARG, PPARD IDO1 4369/4885RAPGEF4 1488/4885GRIN2B 619/4885
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 IDO1 1610/4885RAPGEF4 1774/4885GRIN2B 987/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO IDO1 2300/4885RAPGEF4 661/4885GRIN2B 3245/4885
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF IL1B, IL1A, CASP1 IDO1 261/4885RAPGEF4 3604/4885GRIN2B 3944/4885
US-20220140252-A1 NOVEL ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LEF1, PIEZO1, L1CAM IDO1 1278/4885RAPGEF4 2402/4885GRIN2B 924/4885
US-20230337520-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, LPO, LPL IDO1 1354/4885RAPGEF4 1609/4885GRIN2B 695/4885
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 IDO1 1803/4885RAPGEF4 1072/4885GRIN2B 831/4885
US-20070032485-A1 Tetrahydronaphthyridine derivatives and a process for preparing the same CETP, MTTP, NPC1L1 IDO1 4829/4885RAPGEF4 4020/4885GRIN2B 2993/4885
US-10820591-B2 Substituted sulfonyl amides for controlling animal pests MLYCD, STOM, DDT IDO1 2647/4885RAPGEF4 3220/4885GRIN2B 2794/4885
US-20230381112-A1 Compositions and Methods of Manufacturing Amphiphilic Block Copolymers that Form Nanoparticles in Situ SBDS, MTDH, DLST IDO1 3936/4885RAPGEF4 4640/4885GRIN2B 1750/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB IDO1 3561/4885RAPGEF4 4815/4885GRIN2B 4198/4885
US-20220020935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, LEF1 IDO1 1637/4885RAPGEF4 880/4885GRIN2B 2689/4885

“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.