SCHEMBL16531982

SCHEMBL16531982

CCOC(=O)CCN1CCN(c2ccc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c3c(Cl)ncnc3Cl)cc2Cl)C1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.49
TP53 P04637 1/20 0.34
P2RX3 P56373 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
PPOX P50336 2/20 0.31
SCN9A Q15858 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL16531967 0.93 DGAT1 (0.51) DGAT1TP53SMN1; SMN2LMNA
SCHEMBL16531968 0.89 TP53 (0.36) DGAT1TP53P2RX3SMN1; SMN2LMNA
SCHEMBL16532112 0.87 DGAT1 (0.51) DGAT1TP53SMN1; SMN2LMNA
SCHEMBL17907369 0.87 DGAT1 (0.51) DGAT1TP53ALDH1A1
SCHEMBL17907290 0.86 DGAT1 (0.50) DGAT1TP53
SCHEMBL16532105 0.86 DGAT1 (0.51) DGAT1TP53
SCHEMBL16532013 0.86 DGAT1 (0.49) DGAT1TP53SCN9ASCN10A
SCHEMBL17907288 0.84 DGAT1 (0.47) DGAT1TP53
SCHEMBL17907301 0.82 DGAT1 (0.49) DGAT1TP53
SCHEMBL16532005 0.81 TP53 (0.37) DGAT1TP53SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042907-B1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF QUINGDAO HUANGHAI PHARMACEUTICAL CO LTD (CN) 2021-01-13 EP disclosed
EP-3042907-B1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF QUINGDAO HUANGHAI PHARMACEUTICAL CO LTD (CN) 2021-01-13 EP disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
EP-3042907-A1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF Medshine Discovery Inc. (CN) 2016-07-13 EP disclosed
EP-3042907-A1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF Medshine Discovery Inc. (CN) 2016-07-13 EP disclosed
WO-2015024486-A1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京明德新药研发股份有限公司 (CN) 2015-02-26 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 (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-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof DGAT1, DGAT2, LCAT DGAT1 1/4885TP53 4424/4885P2RX3 4515/4885

“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.