SCHEMBL18206726

SCHEMBL18206726

CC(OC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ KLK7 P49862 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ UCHL1 P09936 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL18206724 1.00 HSD17B10 (0.55) HSD17B10SMN1; SMN2KMT2APOLBNPC1
SCHEMBL23397608 1.00 HSD17B10 (0.55) HSD17B10SMN1; SMN2KMT2APOLBNPC1
SCHEMBL8274222 0.87 HSD17B10 (0.56) HSD17B10SMN1; SMN2KMT2APOLBNPC1
SCHEMBL14268224 0.87 HSD17B10 (0.56) HSD17B10SMN1; SMN2KMT2APOLBNPC1
SCHEMBL19414808 0.84 HSD17B10 (0.61) HSD17B10SMN1; SMN2KMT2APOLBNPC1
SCHEMBL7286305 0.84 HSD17B10 (0.61) HSD17B10SMN1; SMN2KMT2APOLBNPC1
SCHEMBL895773 0.84 HSD17B10 (0.61) HSD17B10SMN1; SMN2KMT2APOLBNPC1
Hydrochloric Acid SCHEMBL28874591 0.83 HSD17B10 (0.52) HSD17B10SMN1; SMN2KMT2APOLBNPC1
SCHEMBL18815769 0.83 KLK7 (0.51) HSD17B10SMN1; SMN2KMT2ANPC1KLK7
SCHEMBL18815771 0.83 KLK7 (0.51) HSD17B10SMN1; SMN2KMT2ANPC1KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11020386-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2021-06-01 — — US disclosed
US-10695342-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2020-06-30 — — US disclosed
US-10226456-B2 Methods and compositions for preventing opioid abuse 3ST RESEARCH LLC (US) 2019-03-12 — — US disclosed
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-08 — — US disclosed
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-01 — — US disclosed
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2016-11-10 — — 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 (6 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-10226456-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 HSD17B10 1111/4885SMN1; SMN2 252/4885KMT2A 3110/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 HSD17B10 1111/4885SMN1; SMN2 252/4885KMT2A 3110/4885
US-11020386-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 HSD17B10 1111/4885SMN1; SMN2 252/4885KMT2A 3110/4885
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 HSD17B10 1111/4885SMN1; SMN2 252/4885KMT2A 3110/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 HSD17B10 1111/4885SMN1; SMN2 252/4885KMT2A 3110/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 HSD17B10 1111/4885SMN1; SMN2 252/4885KMT2A 3110/4885

“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.

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