SCHEMBL21463677

SCHEMBL21463677

Cc1cc2cc(Br)cnc2n1COCC[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.39
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.33
PDE10A Q9Y233 2/20 0.31
HSD17B10 Q99714 1/20 0.31
AKT1 P31749 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL21115272 0.86 DGAT1 (0.36) DGAT1NPC1MAPTHSD17B10
SCHEMBL18210176 0.84 HTT (0.36) DGAT1HTTNPC1MAPTPDE10A
SCHEMBL14800820 0.81 NPC1 (0.38) DGAT1NPC1MAPTHSD17B10ENPP3
SCHEMBL31533717 0.81 DGAT1 (0.41) DGAT1HTTNPC1MAPT
SCHEMBL1192594 0.81 DGAT1 (0.38) DGAT1HTTNPC1MAPTHSD17B10
SCHEMBL2377093 0.81 DGAT1 (0.41) DGAT1HTTNPC1MAPT
SCHEMBL25782322 0.79 DGAT1 (0.36) DGAT1NPC1MAPT
SCHEMBL23090811 0.77 DGAT1 (0.32) DGAT1NPC1
SCHEMBL26645371 0.77 KDM4E (0.39) DGAT1HTTNPC1MAPTPDE10A
SCHEMBL1565921 0.77 DGAT1 (0.40) DGAT1HSD17B10

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 6 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
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN 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 4461/4885HTT 1142/4885NPC1 2391/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH DGAT1 4461/4885HTT 1142/4885NPC1 2391/4885

“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.