SCHEMBL2736347

SCHEMBL2736347

CN(c1ccccn1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
CYP2D6 P10635 2/20 0.50
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.42
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42
DRD1 P21728 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
ADRA1A P35348 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
OPRK1 P41145 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL12574809 0.81 CYP2D6 (0.48) CYP2C19CYP2D6POLBALDH1A1CHRM2
SCHEMBL6247532 0.80 CYP2D6 (0.47) CYP2C19CYP2D6POLBALDH1A1CHRM2
SCHEMBL24741515 0.80 CYP2D6 (0.47) CYP2C19CYP2D6POLBALDH1A1CHRM2
SCHEMBL16586024 0.79 POLB (0.51) CYP2C19CYP2D6POLBALDH1A1CHRM2
SCHEMBL28807709 0.78 POLB (0.43) CYP2C19CYP2D6POLBALDH1A1CHRM2
SCHEMBL23812263 0.77 CYP2D6 (0.44) CYP2C19CYP2D6POLBALDH1A1CHRM2
SCHEMBL29635663 0.77
SCHEMBL364 0.77
SCHEMBL231127 0.77 CYP2D6 (0.57) CYP2C19CYP2D6POLBALDH1A1CHRM2
SCHEMBL19318513 0.75 POLB (0.59) CYP2C19CYP2D6POLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295179-A1 EIF4A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295179-A1 EIF4A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230071483-A1 EIF4A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO OXFORD FINANCE LLC, AS COLLATERAL AGENT 2023-03-09 US disclosed
EP-3888658-A1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO Effector Therapeutics Inc. (US) 2021-10-06 EP disclosed
US-20210284624-A1 IMMUNOMODULATORY COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-16 US disclosed
EP-3380101-B1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS INC (US) 2021-01-27 EP disclosed
US-20200339590-A1 EIF4A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO eFector Therapautics, Inc. (US) 2020-10-29 US disclosed
US-10577378-B2 EIF4A-inhibiting compounds and methods related thereto EFFECTOR THERAPEUTICS, INC. (US) 2020-03-03 US disclosed
US-9969744-B2 Compounds for use in cognition improvement FUNDACIÓN LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2018-05-15 US disclosed
US-9957277-B2 eIF4A-inhibiting compounds and methods related thereto EFFECTOR THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-8242143-B2 Thiazolyl mGluR5 antagonists and methods for their use MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use MERCK SHARP & DOHME CORP. (US) 2011-09-22 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-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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 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 (10 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-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 CYP2C19 476/4885CYP2D6 92/4885POLB 3167/4885
US-20200339590-A1 EIF4A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EIF4A1, EIF4A2, EIF4A3 CYP2C19 3994/4885CYP2D6 3484/4885POLB 1430/4885
US-20230295179-A1 EIF4A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EIF4A1, EIF4A2, EIF4A3 CYP2C19 3994/4885CYP2D6 3484/4885POLB 1430/4885
US-20230071483-A1 EIF4A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EIF4A1, EIF4A2, EIF4A3 CYP2C19 3994/4885CYP2D6 3484/4885POLB 1430/4885
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use GRM5, GRIK5, GRM3 CYP2C19 2148/4885CYP2D6 1534/4885POLB 4840/4885
US-20210284624-A1 IMMUNOMODULATORY COMPOUNDS CRBN, CD47, CD58 CYP2C19 4840/4885CYP2D6 4789/4885POLB 4558/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 CYP2C19 862/4885CYP2D6 2049/4885POLB 4104/4885
US-10577378-B2 EIF4A-inhibiting compounds and methods related thereto EIF4A1, EIF4A2, EIF4A3 CYP2C19 3994/4885CYP2D6 3484/4885POLB 1430/4885
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators AR, CYP17A1, SHBG CYP2C19 384/4885CYP2D6 3274/4885POLB 1251/4885
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use GRM5, GRIK5, GRM3 CYP2C19 2148/4885CYP2D6 1534/4885POLB 4840/4885

“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.