SCHEMBL18206072

SCHEMBL18206072

CC(C)(C)OC(=O)NCCC(=O)NC(Cc1cn(C(=O)O)cn1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ CPB2 Q96IY4 4/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL18207164 0.93 KDM4E (0.35) KDM4EPOLBTDP1L3MBTL1ACE
SCHEMBL18207163 0.93 KDM4E (0.35) KDM4EPOLBTDP1L3MBTL1ACE
SCHEMBL18220952 0.83 POLB (0.37) KDM4EPOLBTDP1L3MBTL1PAX8
SCHEMBL18218809 0.82 CPB2 (0.33) CPB2CPB1
SCHEMBL3745036 0.82 KLK7 (0.35) CPB2KLK7MAPK1ALDH1A1
SCHEMBL31482347 0.82 KLK7 (0.35) CPB2KLK7MAPK1ALDH1A1
SCHEMBL3745041 0.82 KLK7 (0.35) CPB2KLK7MAPK1ALDH1A1
SCHEMBL23397828 0.79 ACE (0.44) KDM4EPOLBL3MBTL1ACECPB2
SCHEMBL18207142 0.79 ACE (0.44) KDM4EPOLBL3MBTL1ACECPB2
SCHEMBL25717615 0.79 KLK7 (0.35) ACEKLK7MAPK1

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 KDM4E 2266/4885POLB 1797/4885TDP1 3101/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 KDM4E 2266/4885POLB 1797/4885TDP1 3101/4885
US-11020386-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 KDM4E 2266/4885POLB 1797/4885TDP1 3101/4885
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 KDM4E 2266/4885POLB 1797/4885TDP1 3101/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 KDM4E 2266/4885POLB 1797/4885TDP1 3101/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 KDM4E 2266/4885POLB 1797/4885TDP1 3101/4885

“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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