SCHEMBL20711865

SCHEMBL20711865

CC(C)N[C@@H]1CCN(C(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.38
CYP2D6 P10635 1/20 0.38
KDM1A O60341 1/20 0.36
KAT2B Q92831 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A5 Q9Y345 1/20 0.33
WHR1 P49842 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
CDC42BPB Q9Y5S2 1/20 0.30

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
SCHEMBL20124363 1.00 HRH3 (0.38) HRH3CYP2D6KDM1AKAT2BALDH1A1
SCHEMBL14453868 1.00 HRH3 (0.38) HRH3CYP2D6KDM1AKAT2BALDH1A1
SCHEMBL21100844 0.89 KAT2B (0.43) HRH3CYP2D6KAT2BROCK2ROCK1
SCHEMBL14453905 0.89 KAT2B (0.43) HRH3CYP2D6KAT2BROCK2ROCK1
SCHEMBL21423874 0.89 KAT2B (0.43) HRH3CYP2D6KAT2BROCK2ROCK1
SCHEMBL2600362 0.86 HRH3 (0.44) HRH3CYP2D6KDM1AALDH1A1WHR1
SCHEMBL22489697 0.83 CYP2D6 (0.30) HRH3CYP2D6
SCHEMBL22964700 0.83 HRH3 (0.40) HRH3CYP2D6KDM1AKAT2BALDH1A1
SCHEMBL21310140 0.83 HRH3 (0.40) HRH3CYP2D6KDM1AKAT2BALDH1A1
SCHEMBL24467173 0.83 KDM1A (0.35) HRH3CYP2D6KDM1AALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-11547709-B2 Methods of treating disorders associated with castor ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-01-10 US disclosed
WO-2022133034-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2022-06-23 WO disclosed
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2022-06-16 US disclosed
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-08-12 US disclosed
US-20210061788-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-03-04 US disclosed
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 US disclosed
WO-2020198526-A2 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-10-01 WO disclosed
US-10538513-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-21 US disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 US disclosed
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-27 US disclosed
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 HRH3 4312/4885CYP2D6 1779/4885KDM1A 1226/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 HRH3 4312/4885CYP2D6 1779/4885KDM1A 1226/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 HRH3 4526/4885CYP2D6 3724/4885KDM1A 3634/4885
US-20210061788-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 HRH3 4526/4885CYP2D6 3724/4885KDM1A 3634/4885
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 HRH3 977/4885CYP2D6 1682/4885KDM1A 1667/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 HRH3 977/4885CYP2D6 1682/4885KDM1A 1667/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 HRH3 4312/4885CYP2D6 1779/4885KDM1A 1226/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 HRH3 4526/4885CYP2D6 3724/4885KDM1A 3634/4885
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK PANK2, PANK1, PANK3 HRH3 4561/4885CYP2D6 4366/4885KDM1A 3935/4885
US-10538513-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 HRH3 977/4885CYP2D6 1682/4885KDM1A 1667/4885

“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.