SCHEMBL20187347

SCHEMBL20187347

CC(=NC(=S)C1CCCN1C(=O)OC(C)(C)C)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
UCHL1 P09936 2/20 0.40
USP30 Q70CQ3 3/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL20187345 1.00 HSD17B10 (0.48) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL4590220 0.81 HSD17B10 (0.54) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL20189166 0.81 RAB9A (0.38) HSD17B10LMNAKDM4EALDH1A1
SCHEMBL489823 0.78 HSD17B10 (0.57) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL12519784 0.78 MEN1 (0.51) HSD17B10KMT2AMEN1USP30ALDH1A1
SCHEMBL11448325 0.77 HSD17B10 (0.62) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL5423413 0.76 HSD17B10 (0.61) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL4070752 0.76 HSD17B10 (0.61) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL5469907 0.76 HSD17B10 (0.61) HSD17B10NPC1LMNANPSR1SMN1; SMN2
SCHEMBL1799846 0.76 HSD17B10 (0.57) HSD17B10NPC1LMNANPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544972-B1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER (US) 2023-04-26 EP 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

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-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands OPRK1, OPRD1, OPRM1 HSD17B10 2705/4885NPC1 2458/4885LMNA 2841/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 HSD17B10 2705/4885NPC1 2458/4885LMNA 2841/4885

“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.