SCHEMBL3954367

SCHEMBL3954367

CCC(CC)NC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
CNR1 P21554 1/20 0.33
ADRA1A P35348 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCC3 O15438 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL21371585 0.88 LMNA (0.31) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL6209009 0.83 LMNA (0.50) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL6209012 0.83 LMNA (0.50) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL13747070 0.83 CA1 (0.31)
SCHEMBL10245268 0.83 LMNA (0.50) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL17543917 0.83
SCHEMBL14176493 0.81 LMNA (0.31) LMNATSHR
SCHEMBL24191889 0.79
SCHEMBL10246313 0.79 TAS1R3 (0.33)
SCHEMBL15174715 0.79 LMNA (0.31) LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626772-A1 USE OF A MELAMINE BASED COMPOUND AND A HALS COMPOUND AS HEAT STABILIZER IN POLYMERS Borealis AG (AT) 2020-03-25 EP disclosed
US-10314816-B2 Antimicrobial compounds, compositions and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-11 US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 US disclosed
US-8883378-B2 Colored curable composition, color filter and method of producing color filter, solid-state image sensor and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-11-11 US disclosed
US-8637215-B2 Colored curable composition, color filter and method of producing color filter, solid-state image sensor and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-01-28 US disclosed
US-20120289696-A1 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE MERCK SHARP & DOHME LLC 2012-11-15 US disclosed
US-8242143-B2 Thiazolyl mGluR5 antagonists and methods for their use MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use MERCK SHARP & DOHME CORP. (US) 2011-09-22 US disclosed
US-20110217636-A1 COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2011-09-08 US disclosed
US-7879882-B2 glutamate receptor antagonists such as 3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl]benzonitrile, used for the treatment of ischemia, , schizophrenia, obesity, attention deficit disorders, epilepsy, eating, cardiovacular, neurodegenerative, psychological and sleep disorders MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
US-7511043-B2 FXR modulators AMGEN INC. (US) 2009-03-31 US disclosed
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity ANGION BIOMEDICA CORPORATION (US) 2008-03-06 US disclosed
US-20040176426-A1 FXR modulators TULARIK, INC. 2004-09-09 US disclosed
US-6777446-B2 FARNESOID X RECEPTOR; TREATING DISEASES ASSOCIATED WITH ABNORMALLY HIGH OR LOW CHOLESTEROL LEVELS. TULARIK, INC. 2004-08-17 US disclosed
US-20020120137-A1 Farnesoid X receptor; treating diseases associated with abnormally high or low cholesterol levels. TULARIK INC. 2002-08-29 US disclosed
WO-2002020463-A2 FXR MODULATORS TULARIK INC. (US) 2002-03-14 WO disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 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 (7 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-20120289696-A1 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE GRM5, GRIK5, GRM3 LMNA 4658/4885CNR1 117/4885ADRA1A 1135/4885
US-20020120137-A1 Farnesoid X receptor; treating diseases associated with abnormally high or low cholesterol levels. NR1H4, NR1H2, NR1H3 LMNA 4130/4885CNR1 1039/4885ADRA1A 456/4885
US-10314816-B2 Antimicrobial compounds, compositions and methods of use thereof CLPP, ATP5ME, PCNA LMNA 2044/4885CNR1 4123/4885ADRA1A 3670/4885
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use GRM5, GRIK5, GRM3 LMNA 4658/4885CNR1 117/4885ADRA1A 1135/4885
US-20040176426-A1 FXR modulators NR1H4, CYP7A1, CYP7B1 LMNA 4473/4885CNR1 1314/4885ADRA1A 408/4885
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use GRM5, GRIK5, GRM3 LMNA 4658/4885CNR1 117/4885ADRA1A 1135/4885
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity HGF, MET, HDGF LMNA 4652/4885CNR1 2550/4885ADRA1A 3667/4885

“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.