SCHEMBL1426164

SCHEMBL1426164

CNc1cccc(C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
FADS1 O60427 1/20 0.46
TSHR P16473 1/20 0.44
CA2 P00918 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MDM4 O15151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL16838141 0.84 TSHR (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16740946 0.84 KIF11 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15588620 0.83 TSHR (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27801625 0.83 TSHR (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8350765 0.83 MEN1 (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23711025 0.82 TSHR (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8359919 0.80 TDP1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3914987 0.80 CA2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3212822 0.80 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16906818 0.80 MEN1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CAPELLA THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CAPELLA THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-07-20 US disclosed
WO-2023109944-A1 TLR MODULATOR AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-06-22 WO disclosed
WO-2023109506-A1 POLYMERIC STERICALLY HINDERED AMINE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 天集化工助剂(沧州)有限公司 2023-06-22 WO disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
WO-2004058234-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 WO disclosed
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG 2002-11-14 US disclosed
US-4360465-A PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed
EP-0017946-B1 SALTS OF ALPHA-AMINOACETANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS BASF Aktiengesellschaft (DE) 1982-04-14 EP disclosed
EP-0017946-A1 Salts of alpha-aminoacetanilides, process for their preparation and their use as plant growth regulators BASF Aktiengesellschaft (DE) 1980-10-29 EP 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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB GRIN2D 3835/4885GRIN3B 3538/4885GRIN1 3589/4885
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, ADRB2, REN GRIN2D 4014/4885GRIN3B 4311/4885GRIN1 4498/4885
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CCNI, CYP2C19, PHB1 GRIN2D 3658/4885GRIN3B 4299/4885GRIN1 4215/4885
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, F12, UTS2R GRIN2D 4379/4885GRIN3B 4286/4885GRIN1 4699/4885
US-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPAR1, LPL GRIN2D 229/4885GRIN3B 296/4885GRIN1 207/4885
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 GRIN2D 4217/4885GRIN3B 3329/4885GRIN1 2700/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A GRIN2D 4202/4885GRIN3B 3848/4885GRIN1 4214/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A GRIN2D 4202/4885GRIN3B 3848/4885GRIN1 4214/4885

“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.