SCHEMBL17571384

SCHEMBL17571384

CC[C@@H](CNc1ccc(Cl)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.51
▸ SYK P43405 2/20 0.49
▸ TSHR P16473 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ P2RY2 P41231 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL17559611 0.83 TSHR (0.47) TSHRL3MBTL1MAPK1MAPTPTK2
SCHEMBL17571407 0.79 TSHR (0.56) TRPA1TSHRL3MBTL1MAPK1MAPT
SCHEMBL17571385 0.77 TSHR (0.43) TRPA1TSHRL3MBTL1MAPK1MAPT
SCHEMBL28311959 0.76 TRPA1 (0.55) TRPA1TSHRL3MBTL1MAPK1MAPT
SCHEMBL8227194 0.76 SYK (0.46) TRPA1SYKATMAAK1
SCHEMBL14497000 0.76 TRPA1 (0.45) TRPA1SYKTSHRL3MBTL1MAPK1
SCHEMBL14496990 0.76 SYK (0.51) TRPA1SYKTSHRL3MBTL1MAPK1
SCHEMBL17571434 0.76 TSHR (0.43) TSHRL3MBTL1MAPK1MAPTPTK2
SCHEMBL22678738 0.76 TSHR (0.43) TSHRL3MBTL1MAPK1MAPTPTK2
SCHEMBL28041 0.76 PTK2 (0.61) TRPA1TSHRL3MBTL1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189043-B1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LTD (GB) 2020-11-18 — — EP 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 (2 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-10611760-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R TRPA1 538/4885SYK 3012/4885TSHR 166/4885
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R TRPA1 538/4885SYK 3012/4885TSHR 166/4885

“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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