SCHEMBL13617295

SCHEMBL13617295

CNC(CNC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 2/20 0.53
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
CYP2D6 P10635 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
SYK P43405 1/20 0.38
SERPINE1 P05121 1/20 0.38
CA9 Q16790 2/20 0.37
CA4 P22748 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL17571411 1.00 CA1 (0.53) CA1CA2CA7MEN1GAA
SCHEMBL9600202 0.81 MEN1 (0.46) CA1CA2CA7MEN1GAA
SCHEMBL1457816 0.81 MEN1 (0.46) CA1CA2CA7MEN1GAA
SCHEMBL556588 0.81 MEN1 (0.46) CA1CA2CA7MEN1GAA
SCHEMBL13334369 0.79 CA1 (0.49) CA1CA2CA7MEN1GAA
SCHEMBL18290278 0.79 MEN1 (0.47) CA1CA2CA7MEN1GAA
SCHEMBL8366813 0.79 CA1 (0.49) CA1CA2CA7MEN1GAA
SCHEMBL13055406 0.79 CA1 (0.58) CA1CA2CA7MEN1GAA
SCHEMBL1105702 0.79 PCSK9 (0.50) CA1CA2CA7MEN1GAA
SCHEMBL6563149 0.79 MEN1 (0.50) CA1CA2CA7MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2024-07-02 US disclosed
EP-3189043-B1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LTD (GB) 2020-11-18 EP disclosed
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LIMITED 2020-08-27 US disclosed
US-10611760-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2020-04-07 US disclosed
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR INDIVIOR INC. 2017-10-12 US disclosed
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP 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-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R CA1 708/4885CA2 917/4885CA7 2992/4885
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R CA1 708/4885CA2 917/4885CA7 2992/4885
US-10611760-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R CA1 708/4885CA2 917/4885CA7 2992/4885
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R CA1 708/4885CA2 917/4885CA7 2992/4885

“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.