SCHEMBL1670964

SCHEMBL1670964

CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
GAA P10253 2/20 0.46
EPHX1 P07099 2/20 0.45
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CTSK P43235 2/20 0.41
KDM1A O60341 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAOB P27338 1/20 0.39
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL20178496 1.00 BTK (0.47) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL1542181 1.00 BTK (0.47) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL21423769 1.00 BTK (0.47) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL741312 1.00 BTK (0.47) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL1542182 1.00 BTK (0.47) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL25981800 1.00 BTK (0.47) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL21622075 0.98 GAA (0.49) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL21238714 0.96 BTK (0.51) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL22242735 0.96 BTK (0.51) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL19578680 0.96 BTK (0.51) BTKGAAEPHX1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028553-B Preparation method of chiral N-Boc/Cbz-cis- (1R, 2S) -cyclohexanediamine 上海瀚鸿科技股份有限公司 2024-03-26 CN disclosed
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES WELLS THERAPEUTICS, INC. 2023-09-21 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
CN-115745971-A PARP7 inhibitor and application thereof 重庆华森制药股份有限公司 2023-03-07 CN disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
US-20220306634-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA SAN DIEGO, INC. 2022-09-29 US disclosed
EP-4061809-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2022-09-28 EP disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide ABBOTT LABORATORIES 2007-03-29 US disclosed
US-20060258657-A1 Apoptosis promoters ABBVIE INC. 2006-11-16 US disclosed
US-20060128706-A1 Apoptosis promoters ABBVIE INC. 2006-06-15 US disclosed
CN-1242993-C Heterocycle derivatives and drugs NIPPON SHINYAKU CO LTD (JP) 2006-02-22 CN disclosed
US-20050159427-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2005-07-21 US disclosed
US-6794389-B2 Quinazoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2004-09-21 US disclosed
US-20030119855-A1 Heterocycle derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2003-06-26 US disclosed
EP-1306372-A1 HETEROCYCLE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2003-05-02 EP disclosed
US-6043358-A FOR TREATING DISSORDERS SUCH AS NEURODEGENERATIVE DISORDERS, DISORDERS OF GASTROINTESTINAL MOTILITY AND INFLAMMATION, HYPOTENSION, SEPTIC SHOCK, TOXIC SHOCK SYNDROME, HEMODIALYSIS, AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS SUCH AS SUNBURN MERCK & CO., INC. (US) 2000-03-28 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-20070287695-A1 Novel Compounds OPRM1, OPRL1, OPRK1 BTK 3836/4885GAA 2129/4885EPHX1 1448/4885
US-20060128706-A1 Apoptosis promoters BAX, BCL2, API5 BTK 4852/4885GAA 2001/4885EPHX1 4195/4885
US-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT BTK 3405/4885GAA 624/4885EPHX1 2749/4885
US-20220306634-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN BTK 6/4885GAA 2316/4885EPHX1 1647/4885
US-20030119855-A1 Heterocycle derivatives and drugs OPRL1, OPRK1, OPRD1 BTK 673/4885GAA 4625/4885EPHX1 1204/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 BTK 4852/4885GAA 2001/4885EPHX1 4195/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 BTK 4776/4885GAA 2370/4885EPHX1 4057/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 BTK 1425/4885GAA 887/4885EPHX1 3664/4885
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide BCL2A1, BAX, BCL2L1 BTK 2426/4885GAA 3970/4885EPHX1 3755/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A BTK 1305/4885GAA 1349/4885EPHX1 3053/4885
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN BTK 6/4885GAA 2316/4885EPHX1 1647/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A BTK 1305/4885GAA 1349/4885EPHX1 3053/4885

“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.