SCHEMBL18206302

SCHEMBL18206302

CCCCCCCCCCCCCCCCCC(=O)n1nnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.66
KMT2A Q03164 4/20 0.59
HPGD P15428 3/20 0.59
HSD17B10 Q99714 2/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
MGAM O43451 2/20 0.56
AMY1A P0DUB6 2/20 0.56
GAA P10253 2/20 0.56
SI P14410 2/20 0.56
MGAM2 Q2M2H8 2/20 0.56
SLC9A1 P19634 5/20 0.55
LMNA P02545 2/20 0.54
CYP4Z1 Q86W10 8/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
F2 P00734 1/20 0.50
MITF O75030 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL535029 1.00 ASAH1 (0.66) ASAH1KMT2AHPGDHSD17B10MAPT
SCHEMBL5793440 1.00 ASAH1 (0.66) ASAH1KMT2AHPGDHSD17B10MAPT
SCHEMBL534899 1.00 ASAH1 (0.66) ASAH1KMT2AHPGDHSD17B10MAPT
SCHEMBL535094 1.00 ASAH1 (0.66) ASAH1KMT2AHPGDHSD17B10MAPT
SCHEMBL534984 1.00 ASAH1 (0.66) ASAH1KMT2AHPGDHSD17B10MAPT
SCHEMBL337266 1.00 ASAH1 (0.66) ASAH1KMT2AHPGDHSD17B10MAPT
SCHEMBL535030 0.99 ASAH1 (0.64) ASAH1KMT2AHPGDHSD17B10MAPT
SCHEMBL23780256 0.94 KMT2A (0.62) ASAH1KMT2AHPGDHSD17B10MAPT
SCHEMBL18932961 0.92 ASAH1 (0.58) ASAH1KMT2AHPGDHSD17B10MAPT
SCHEMBL534954 0.92 ASAH1 (0.58) ASAH1KMT2AHPGDHSD17B10MAPT

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 9 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-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-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
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 ASAH1 824/4885KMT2A 3110/4885HPGD 410/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 ASAH1 824/4885KMT2A 3110/4885HPGD 410/4885
US-11020386-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 ASAH1 824/4885KMT2A 3110/4885HPGD 410/4885
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ASAH1 824/4885KMT2A 3110/4885HPGD 410/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ASAH1 824/4885KMT2A 3110/4885HPGD 410/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ASAH1 824/4885KMT2A 3110/4885HPGD 410/4885

“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.