SCHEMBL797478

SCHEMBL797478

C[Si](C)(C)CCOCn1ccc2ncc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.41
GRIN2B Q13224 16/20 0.37
GRIN1 Q05586 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL30451160 1.00 DGAT1 (0.41) DGAT1GRIN2BGRIN1CYP1A2CYP2C9
SCHEMBL30040817 0.84 GRIN2B (0.37) DGAT1GRIN2BGRIN1CYP1A2CYP2C9
SCHEMBL112610 0.80 DGAT1 (0.40) DGAT1
SCHEMBL1417507 0.79 DGAT1 (0.46) DGAT1
SCHEMBL30475587 0.78 HTR7 (0.42) DGAT1
SCHEMBL8252347 0.78 HTR7 (0.42) DGAT1
SCHEMBL23716649 0.77 DGAT1 (0.34) DGAT1GRIN2B
SCHEMBL2611088 0.77 MET (0.47) DGAT1
SCHEMBL17697674 0.77 DGAT1 (0.40) DGAT1GRIN2BGRIN1
SCHEMBL10329164 0.77 RPS6KA5 (0.41) 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 12 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
US-10428057-B2 Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (DLK) kinase for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-01 US disclosed
US-20190092764-A1 BICYCLO[1.1.1]PENTANE INHIBITORS OF DUAL LEUCINE ZIPPER (DLK) KINASE FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-03-28 US disclosed
US-10093664-B2 Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (DLK) kinase for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-09 US disclosed
US-20180186781-A1 BICYCLO[1.1.1]PENTANE INHIBITORS OF DUAL LEUCINE ZIPPER (DLK) KINASE FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2018-07-05 US disclosed
US-20130196971-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-01 US disclosed
EP-2615918-A1 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
WO-2012037298-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 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 (7 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-10428057-B2 Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (DLK) kinase for the treatment of disease CLK1, MAP3K12, CLK2 DGAT1 2511/4885GRIN2B 1001/4885GRIN1 552/4885
US-20180186781-A1 BICYCLO[1.1.1]PENTANE INHIBITORS OF DUAL LEUCINE ZIPPER (DLK) KINASE FOR THE TREATMENT OF DISEASE CLK1, MAP3K12, CLK2 DGAT1 2511/4885GRIN2B 1001/4885GRIN1 552/4885
US-10093664-B2 Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (DLK) kinase for the treatment of disease CLK1, MAP3K12, CLK2 DGAT1 2511/4885GRIN2B 1001/4885GRIN1 552/4885
US-20130196971-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 DGAT1 38/4885GRIN2B 4351/4885GRIN1 3593/4885
US-20190092764-A1 BICYCLO[1.1.1]PENTANE INHIBITORS OF DUAL LEUCINE ZIPPER (DLK) KINASE FOR THE TREATMENT OF DISEASE CLK1, MAP3K12, CLK2 DGAT1 2511/4885GRIN2B 1001/4885GRIN1 552/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH DGAT1 4461/4885GRIN2B 647/4885GRIN1 961/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH DGAT1 4461/4885GRIN2B 647/4885GRIN1 961/4885

“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.