SCHEMBL16531972

SCHEMBL16531972

CCOC(=O)CCN1CCN(c2ccc(NCCO[Si](C)(C)C(C)(C)C)cc2Cl)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.39
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
EGFR P00533 3/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ERBB2 P04626 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
PPOX P50336 1/20 0.33
NPY2R P49146 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2D6 P10635 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
SCHEMBL16531976 0.92 SCN9A (0.34) P2RX3SCN9ASCN10AEGFRALDH1A1
SCHEMBL16532110 0.83 SCN9A (0.35) SCN9ASCN10AALDH1A1POLBTSHR
SCHEMBL16532024 0.83 GRIN1 (0.32) SCN9AALDH1A1NPY2RALOX15
SCHEMBL16532012 0.82 SCN9A (0.38) SCN9ASCN10ANPY2RMAPTALOX15
SCHEMBL17907334 0.82 SCN9A (0.34) SCN9ASCN10AEGFRALDH1A1TSHR
SCHEMBL17907293 0.80 POLB (0.35) SCN9ASCN10AALDH1A1SMN1; SMN2LMNA
SCHEMBL22894413 0.78 CHRM1 (0.33) SCN9AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16531982 0.78 DGAT1 (0.49) P2RX3SCN9ASCN10AALDH1A1SMN1; SMN2
SCHEMBL16531981 0.76 ALDH1A1 (0.42) P2RX3SCN9ASCN10AALDH1A1SMN1; SMN2
SCHEMBL17907319 0.72 TSHR (0.31) TSHR

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 10 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
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 P2RX3 4515/4885SCN9A 1693/4885SCN10A 1756/4885

“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.