SCHEMBL4956949

SCHEMBL4956949

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)C#C[Si](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
UCHL1 P09936 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SCN4A P35499 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP30 Q70CQ3 1/20 0.42
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL19203219 0.84 HSD17B10 (0.56) HSD17B10UCHL1SMN1; SMN2NPC1LMNA
SCHEMBL17069049 0.84 HSD17B10 (0.56) HSD17B10UCHL1SMN1; SMN2NPC1LMNA
SCHEMBL8222080 0.81 HSD17B10 (0.59) HSD17B10UCHL1SMN1; SMN2NPC1LMNA
SCHEMBL30772231 0.80 HSD17B10 (0.60) HSD17B10UCHL1SMN1; SMN2NPC1LMNA
SCHEMBL21163680 0.80 HSD17B10 (0.51) HSD17B10UCHL1SMN1; SMN2NPC1LMNA
SCHEMBL20187282 0.79 ACE (0.38) HSD17B10LMNA
SCHEMBL28133679 0.79 HSD17B10 (0.62) HSD17B10UCHL1SMN1; SMN2NPC1LMNA
SCHEMBL4070752 0.77 HSD17B10 (0.61) HSD17B10UCHL1SMN1; SMN2NPC1LMNA
SCHEMBL19414808 0.77 HSD17B10 (0.61) HSD17B10UCHL1SMN1; SMN2NPC1LMNA
SCHEMBL5423413 0.77 HSD17B10 (0.61) HSD17B10UCHL1SMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234638-B Heteroaryl phenoxy benzamide KAPPA opioid ligands 辉瑞大药厂 2022-10-21 CN disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
EP-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 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 (3 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-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 HSD17B10 1536/4885UCHL1 652/4885SMN1; SMN2 4238/4885
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands OPRK1, OPRD1, OPRM1 HSD17B10 2705/4885UCHL1 486/4885SMN1; SMN2 1454/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 HSD17B10 2705/4885UCHL1 486/4885SMN1; SMN2 1454/4885

“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.