SCHEMBL21463417

SCHEMBL21463417

Cc1cn(COCC[Si](C)(C)C)c2ncc(N)cc12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.38
▸ NPC1 O15118 1/20 0.33
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL30615506 1.00 DGAT1 (0.38) DGAT1NPC1BRD4CREBBPALOX5AP
SCHEMBL68020 0.85 DGAT1 (0.43) DGAT1NPC1BRD4CREBBP
SCHEMBL21463586 0.80 MAPT (0.40) DGAT1NPC1BRD4CREBBP
SCHEMBL30615511 0.80 MAPT (0.40) DGAT1NPC1BRD4CREBBP
SCHEMBL29092307 0.79 DGAT1 (0.38) DGAT1BRD4CREBBPALOX5APFEN1
SCHEMBL29581588 0.79 PIK3CA (0.34) DGAT1NPC1
SCHEMBL68598 0.78 DGAT1 (0.34) DGAT1BRD4CREBBP
SCHEMBL2377557 0.77 DGAT1 (0.41) DGAT1ALOX5APFEN1
SCHEMBL3299844 0.77 NPC1 (0.33) DGAT1NPC1ALOX5APFEN1
SCHEMBL29868688 0.76 BRD4 (0.46) DGAT1NPC1BRD4CREBBPALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 — — US disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 — — US disclosed
EP-3774739-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RaQualia Pharma Inc. (JP) 2021-02-17 — — EP disclosed
WO-2019198692-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2019-10-17 — — 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-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH DGAT1 4461/4885NPC1 2391/4885BRD4 1655/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH DGAT1 4461/4885NPC1 2391/4885BRD4 1655/4885

“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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