SCHEMBL17571407

SCHEMBL17571407

CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ L3MBTL1 Q9Y468 4/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ TRPA1 O75762 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PTK2 Q05397 1/20 0.47
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ GLA P06280 1/20 0.45

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
SCHEMBL30135193 0.90 L3MBTL1 (0.52) TSHRL3MBTL1MAPK1TRPA1SMN1; SMN2
SCHEMBL2669302 0.88 TRPA1 (0.48) TSHRL3MBTL1MAPK1TRPA1SMN1; SMN2
SCHEMBL19435387 0.83 L3MBTL1 (0.60) TSHRL3MBTL1MAPK1SMN1; SMN2PTK2
SCHEMBL2669321 0.81 AAK1 (0.47) TSHRL3MBTL1MAPK1TRPA1CTSS
SCHEMBL28041 0.81 PTK2 (0.61) TSHRL3MBTL1MAPK1TRPA1SMN1; SMN2
SCHEMBL14497054 0.79 TRPA1 (0.47) TSHRL3MBTL1MAPK1TRPA1PTK2
SCHEMBL5543004 0.79 TRPA1 (0.47) TSHRL3MBTL1MAPK1TRPA1PTK2
SCHEMBL17571384 0.79 TRPA1 (0.51) TSHRL3MBTL1MAPK1TRPA1SMN1; SMN2
SCHEMBL5045331 0.77 CTSK (0.48) TSHRL3MBTL1MAPK1CTSSCTSK
SCHEMBL14496988 0.76 TRPA1 (0.51) TSHRL3MBTL1MAPK1TRPA1PTK2

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
WO-2016034882-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LIMITED (GB) 2016-03-10 — — WO 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 TSHR 166/4885L3MBTL1 4730/4885MAPK1 705/4885
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R TSHR 166/4885L3MBTL1 4730/4885MAPK1 705/4885
US-10611760-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R TSHR 166/4885L3MBTL1 4730/4885MAPK1 705/4885
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R TSHR 166/4885L3MBTL1 4730/4885MAPK1 705/4885

“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.

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