SCHEMBL7602702

SCHEMBL7602702

CC(C)Cc1nc(C(C)C)no1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
SCN5A Q14524 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
ELANE P08246 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7655000 0.80 HSD11B1 (0.36) HSD11B1GPR119MAOAMAOBMEN1
SCHEMBL11991398 0.79 SORT1 (0.38) HSD11B1GPR119MAOAMAOB
SCHEMBL22837862 0.79 HSD11B1 (0.33) HSD11B1
SCHEMBL443319 0.78 HSD11B1 (0.38) HSD11B1GPR119MAOAMAOBMEN1
SCHEMBL1091053 0.78 NOTUM (0.40) HSD11B1GPR119MAOAMAOBMEN1
SCHEMBL23791454 0.78 HSD11B1 (0.35) HSD11B1GPR119MAOAMAOBMEN1
SCHEMBL15110040 0.78 HSD11B1 (0.35) HSD11B1GPR119MAOAMAOBMEN1
SCHEMBL461807 0.78 HSD11B1 (0.35) HSD11B1GPR119MAOAMAOBMEN1
SCHEMBL4269099 0.78 HSD11B1 (0.35) HSD11B1GPR119MAOAMAOBMEN1
SCHEMBL12904504 0.77 SIGMAR1 (0.41) HSD11B1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
US-8957062-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-02-27 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 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 (4 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-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 KDM4E 3488/4885HSD11B1 732/4885GPR119 1/4885
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 KDM4E 4275/4885HSD11B1 2156/4885GPR119 157/4885
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 KDM4E 3093/4885HSD11B1 2142/4885GPR119 25/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 KDM4E 1747/4885HSD11B1 1132/4885GPR119 719/4885

“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.