SCHEMBL2607619

SCHEMBL2607619

CC(C)(C)c1cccc2ccsc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CYP2A6 P11509 1/20 0.46
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ADORA2A P29274 7/20 0.36
ADORA1 P30542 7/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HDAC4 P56524 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 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
SCHEMBL17858547 0.84 CYP2A6 (0.43) CA2CYP2A6GABRA1GABRB2ADORA2A
SCHEMBL12752565 0.81 CYP2A6 (0.41) CA2CYP2A6ADORA2AADORA1SLC6A2
SCHEMBL13634604 0.81 CYP2A6 (0.41) CA2CYP2A6ADORA2AADORA1SLC6A2
SCHEMBL594781 0.79 CYP2A6 (0.46) CYP2A6ADORA2AADORA1SLC6A2SLC6A4
SCHEMBL23328255 0.78 CYP2A6 (0.31) CA2CYP2A6
SCHEMBL24344561 0.73 ADORA2A (0.35) CA2CYP2A6ADORA2AADORA1ALDH1A1
SCHEMBL15582374 0.73 KCNJ11 (0.42) CYP2A6ADORA2AADORA1ALDH1A1TSHR
SCHEMBL22430416 0.72 ADORA2A (0.34) CA2CYP2A6ADORA2AADORA1
SCHEMBL1716589 0.71 ADORA2A (0.37) CYP2A6ADORA2AADORA1TSHRHDAC4
SCHEMBL156699 0.71 CYP2A6 (0.50) CA2CYP2A6ADORA2AADORA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (12 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 CA2 2795/4885CYP2A6 798/4885GABRA1 129/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF CA2 70/4885CYP2A6 1382/4885GABRA1 4821/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CA2 3102/4885CYP2A6 627/4885GABRA1 588/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 CA2 1736/4885CYP2A6 805/4885GABRA1 80/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 CA2 1699/4885CYP2A6 860/4885GABRA1 86/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 CA2 2940/4885CYP2A6 1948/4885GABRA1 51/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CA2 3359/4885CYP2A6 4174/4885GABRA1 389/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT CA2 4154/4885CYP2A6 668/4885GABRA1 2585/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 CA2 3445/4885CYP2A6 3572/4885GABRA1 38/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CA2 4029/4885CYP2A6 747/4885GABRA1 764/4885
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors GFPT1, MPST, XPNPEP1 CA2 1041/4885CYP2A6 947/4885GABRA1 2764/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 CA2 2795/4885CYP2A6 798/4885GABRA1 129/4885

“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.