SCHEMBL73676

SCHEMBL73676

CC(C)(C)Cc1csc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.60
CHRNA7 P36544 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 1/20 0.45
IDO1 P14902 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP2D6 P10635 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
SRC P12931 1/20 0.40

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
SCHEMBL6377755 0.87 CYP2A6 (0.61) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL3936611 0.84 CYP2A6 (0.59) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL31495877 0.81 CYP2A6 (0.60) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL10950583 0.80 CYP2A6 (0.54) CYP2A6SMN1; SMN2CA1CA2ALDH1A1
SCHEMBL2534944 0.79 CYP2A6 (0.53) CYP2A6SMN1; SMN2CA1CA2ALDH1A1
SCHEMBL20016576 0.78 CYP2A6 (0.38) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL91157 0.78 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL17788640 0.77 CYP2A6 (0.55) CYP2A6CHRNA7SMN1; SMN2CA1CA2
SCHEMBL8486768 0.77 CYP2A6 (0.59) CYP2A6CHRNA7SMN1; SMN2CA1CA2
SCHEMBL4402797 0.76 CYP19A1 (0.43) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059951-A1 INHIBITORS OF THE ANDROGEN RECEPTOR DNA-BINDING DOMAIN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-03-28 WO disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-11618757-B2 Polycyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2023-04-04 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20210395231-A1 RECEPTOR INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-12-23 US disclosed
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-07-29 US disclosed
US-11008334-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-18 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 US disclosed
US-20080306076-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306076-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 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 (16 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-20210395231-A1 RECEPTOR INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USE THEREOF TACR1, TACR2, GPBAR1 CYP2A6 499/4885CHRNA7 621/4885SMN1; SMN2 4759/4885
US-20080306076-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 CYP2A6 4522/4885CHRNA7 193/4885SMN1; SMN2 4716/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CYP2A6 4789/4885CHRNA7 4376/4885SMN1; SMN2 3432/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 CYP2A6 1454/4885CHRNA7 663/4885SMN1; SMN2 465/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP2A6 4638/4885CHRNA7 4659/4885SMN1; SMN2 1519/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CYP2A6 4638/4885CHRNA7 4659/4885SMN1; SMN2 1519/4885
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same GHSR, GHRHR, GIPR CYP2A6 2649/4885CHRNA7 497/4885SMN1; SMN2 3110/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS CYP2A6 4789/4885CHRNA7 4376/4885SMN1; SMN2 3432/4885
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CYP2A6 4789/4885CHRNA7 4376/4885SMN1; SMN2 3432/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 CYP2A6 1454/4885CHRNA7 663/4885SMN1; SMN2 465/4885
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG CYP2A6 2339/4885CHRNA7 2938/4885SMN1; SMN2 4324/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 CYP2A6 1985/4885CHRNA7 363/4885SMN1; SMN2 407/4885
US-11618757-B2 Polycyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 CYP2A6 244/4885CHRNA7 3879/4885SMN1; SMN2 4056/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 CYP2A6 892/4885CHRNA7 104/4885SMN1; SMN2 3688/4885
US-11008334-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS CYP2A6 4789/4885CHRNA7 4376/4885SMN1; SMN2 3432/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 CYP2A6 1669/4885CHRNA7 4881/4885SMN1; SMN2 2568/4885

“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.