SCHEMBL22494042

SCHEMBL22494042

CC(C)(C)OCC(N)C(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HPGD P15428 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ F7 P08709 1/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ CTSD P07339 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CARM1 Q86X55 2/20 0.41
▸ PRMT6 Q96LA8 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ VNN1 O95497 1/20 0.41
▸ P2RX7 Q99572 2/20 0.40

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
SCHEMBL22494041 1.00 TSHR (0.55) TSHRSMN1; SMN2HPGDLMNAF7
SCHEMBL22522266 0.83 TSHR (0.52) TSHRSMN1; SMN2HPGDLMNAF7
SCHEMBL22494001 0.82 TSHR (0.51) TSHRSMN1; SMN2HPGDLMNAF7
SCHEMBL29548949 0.81 TSHR (0.60) TSHRSMN1; SMN2HPGDLMNAF7
SCHEMBL22522203 0.81 TSHR (0.50) TSHRSMN1; SMN2HPGDLMNAF7
SCHEMBL22911393 0.81 TSHR (0.50) TSHRSMN1; SMN2HPGDLMNAF7
SCHEMBL22522139 0.81 TSHR (0.50) TSHRSMN1; SMN2HPGDLMNAF7
SCHEMBL1576884 0.80 CA12 (0.50) TSHRLMNAMEN1ALDH1A1KMT2A
SCHEMBL22494014 0.79 TSHR (0.56) TSHRSMN1; SMN2HPGDLMNAF7
SCHEMBL22494012 0.79 TSHR (0.56) TSHRSMN1; SMN2HPGDLMNAF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors Venenum Biodesign, LLC (US) 2023-02-21 — — US disclosed
US-20220213111-A1 SUBSTITUTED HETEROCYCLES AS CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2022-07-07 — — US disclosed
US-11306098-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors Venenum Biodesign, LLC (US) 2022-04-19 — — US disclosed
WO-2022075974-A1 CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2022-04-14 — — WO disclosed
EP-3953333-A1 NOVEL CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2022-02-16 — — EP disclosed
US-20210015829-A1 CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2021-01-21 — — US disclosed
WO-2020210032-A1 NOVEL CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2020-10-15 — — WO disclosed
US-20200317677-A1 NOVEL CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC 2020-10-08 — — 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 (5 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-20200317677-A1 NOVEL CYCLIC TREX1 INHIBITORS TMX1, TCOF1, TREH TSHR 343/4885SMN1; SMN2 1798/4885HPGD 2233/4885
US-20220213111-A1 SUBSTITUTED HETEROCYCLES AS CYCLIC TREX1 INHIBITORS TMX1, TREH, TSNAX TSHR 343/4885SMN1; SMN2 1903/4885HPGD 1353/4885
US-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors TMX1, P2RX1, TCOF1 TSHR 469/4885SMN1; SMN2 1949/4885HPGD 1881/4885
US-11306098-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors TMX1, P2RX1, TCOF1 TSHR 370/4885SMN1; SMN2 2095/4885HPGD 1780/4885
US-20210015829-A1 CYCLIC TREX1 INHIBITORS TMX1, TSNAX, TPX2 TSHR 363/4885SMN1; SMN2 1847/4885HPGD 1915/4885

“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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