SCHEMBL19455289

SCHEMBL19455289

CC(C)C(CNc1ccc(Cl)cn1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ PTK2 Q05397 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ TSHR P16473 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GLA P06280 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
SCHEMBL17571444 1.00 TRPA1 (0.44) TRPA1L3MBTL1MAPK1PTK2TDP1
SCHEMBL17571385 0.84 TSHR (0.43) TRPA1L3MBTL1MAPK1PTK2TDP1
SCHEMBL17559576 0.83 HCAR3 (0.46) L3MBTL1MAPK1PTK2TDP1TSHR
SCHEMBL17559599 0.75 CYP11B1 (0.41) TDP1NPC1RAB9AMAPT
SCHEMBL17559597 0.75 CYP11B1 (0.41) TDP1NPC1RAB9AMAPT
SCHEMBL17559684 0.74 F10 (0.42) TDP1NPC1RAB9ANPSR1
SCHEMBL17571431 0.74 F10 (0.42) TDP1NPC1RAB9ANPSR1
SCHEMBL19435378 0.74 F10 (0.42) TDP1NPC1RAB9ANPSR1
SCHEMBL18286138 0.73 PTK2 (0.49) TRPA1L3MBTL1MAPK1PTK2TDP1
SCHEMBL17571384 0.73 TRPA1 (0.51) TRPA1L3MBTL1MAPK1PTK2TDP1

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 TRPA1 538/4885L3MBTL1 4730/4885MAPK1 705/4885
US-10611760-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R TRPA1 538/4885L3MBTL1 4730/4885MAPK1 705/4885
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R TRPA1 538/4885L3MBTL1 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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