SCHEMBL462660

SCHEMBL462660

CN[C@H]1CC[C@@H](C(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.33
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL17191618 1.00 GRM4 (0.33) GRM4ROCK2ROCK1KDM1AMAOB
SCHEMBL10261759 1.00 GRM4 (0.33) GRM4ROCK2ROCK1KDM1AMAOB
SCHEMBL25007747 0.93 GRM4 (0.30) GRM4
SCHEMBL18688068 0.86
SCHEMBL19121546 0.84
SCHEMBL20334791 0.81 GRM4 (0.32) GRM4ROCK2ROCK1
SCHEMBL19993506 0.80 ALDH1A1 (0.38) GRM4ROCK2ROCK1
SCHEMBL1422187 0.79 ROCK2 (0.34) ROCK2ROCK1
SCHEMBL23609867 0.79
SCHEMBL23467251 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CAPELLA THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
US-20220008424-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2022-01-13 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20200291007-A1 BENZIMIDAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CAPELLA THERAPEUTICS, INC. 2020-09-17 US disclosed
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. 2020-09-17 US disclosed
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-20200123142-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2020-04-23 US disclosed
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. A DELAWARE CORPORATION (US) 2010-12-23 US disclosed
US-7825118-B2 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2010-11-02 US disclosed
US-7732454-B2 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2010-06-08 US disclosed
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-02-18 US disclosed
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-07 US disclosed
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS, INC. (US) 2009-07-16 US disclosed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-03-27 US disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 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-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 GRM4 4553/4885ROCK2 1535/4885ROCK1 1839/4885
US-20200123142-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 GRM4 4490/4885ROCK2 1349/4885ROCK1 1814/4885
US-20220008424-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN GRM4 4517/4885ROCK2 515/4885ROCK1 578/4885
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CCNI, CYP2C19, PHB1 GRM4 4838/4885ROCK2 3129/4885ROCK1 2817/4885
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN GRM4 4517/4885ROCK2 515/4885ROCK1 578/4885
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN GRM4 4517/4885ROCK2 515/4885ROCK1 578/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN GRM4 4517/4885ROCK2 515/4885ROCK1 578/4885
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN GRM4 4678/4885ROCK2 343/4885ROCK1 373/4885
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LCK, LYN GRM4 4497/4885ROCK2 572/4885ROCK1 612/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 GRM4 4670/4885ROCK2 1659/4885ROCK1 2622/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 GRM4 4631/4885ROCK2 2014/4885ROCK1 2932/4885
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents BTK, LCK, LYN GRM4 3964/4885ROCK2 1923/4885ROCK1 1624/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 GRM4 3099/4885ROCK2 1213/4885ROCK1 1852/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK GRM4 4607/4885ROCK2 1204/4885ROCK1 557/4885
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents BTK, LCK, LYN GRM4 3983/4885ROCK2 2040/4885ROCK1 1633/4885
US-20200291007-A1 BENZIMIDAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CCNI, CYP2C19, PHB1 GRM4 4838/4885ROCK2 3129/4885ROCK1 2817/4885

“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.