SCHEMBL21768426

SCHEMBL21768426

CN(CCO)c1nc2ccc(Br)cc2n1COCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.34
NPC1 O15118 1/20 0.33
EGFR P00533 2/20 0.32
PPARG P37231 1/20 0.32
NPM1 P06748 1/20 0.30
ALK Q9UM73 1/20 0.30

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
SCHEMBL29835911 0.78 GALR3 (0.40) DGAT1NPC1NPM1ALK
SCHEMBL2144844 0.78 GALR3 (0.40) DGAT1NPC1NPM1ALK
SCHEMBL3297924 0.78 DGAT1 (0.36) DGAT1NPC1PPARGNPM1ALK
Dimethylamine SCHEMBL15212871 0.75 GALR3 (0.38) DGAT1NPC1NPM1ALK
SCHEMBL10004078 0.74 DGAT1 (0.39) DGAT1NPC1PPARGNPM1ALK
SCHEMBL31709932 0.74 TSHR (0.46) DGAT1NPC1PPARGNPM1ALK
SCHEMBL31709651 0.73 DGAT1 (0.38) DGAT1NPC1NPM1ALK
SCHEMBL6019429 0.69 DGAT1 (0.33) DGAT1NPC1
SCHEMBL13122602 0.69 TDP1 (0.41) DGAT1NPC1
SCHEMBL30475587 0.68 HTR7 (0.42) DGAT1

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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 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 (1 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 DGAT1 756/4885NPC1 2990/4885EGFR 4022/4885

“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.