SCHEMBL16424872

SCHEMBL16424872

CC(=O)[C@@H](C)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.59
TDP1 Q9NUW8 5/20 0.58
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA1 P00915 9/20 0.49
CA2 P00918 9/20 0.49
CA12 O43570 6/20 0.49
CA9 Q16790 6/20 0.49
ATM Q13315 2/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
POLB P06746 2/20 0.41
EPHX1 P07099 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
SCHEMBL9945627 0.87 MEN1 (0.69) MEN1KMT2AGAATDP1MAOA
SCHEMBL12762769 0.87 MEN1 (0.69) MEN1KMT2AGAATDP1MAOA
SCHEMBL12787794 0.87 MEN1 (0.69) MEN1KMT2AGAATDP1MAOA
SCHEMBL14871948 0.87 MEN1 (0.59) MEN1KMT2AGAATDP1MAOA
SCHEMBL25477091 0.86 MEN1 (0.58) MEN1KMT2AGAATDP1MAOA
SCHEMBL14194795 0.86 MEN1 (0.58) MEN1KMT2AGAATDP1MAOA
SCHEMBL18251802 0.86 MEN1 (0.67) MEN1KMT2AGAATDP1MAOA
SCHEMBL19864338 0.86 MEN1 (0.58) MEN1KMT2AGAATDP1MAOA
SCHEMBL12341542 0.85 MEN1 (0.65) MEN1KMT2AGAATDP1MAOA
SCHEMBL24664899 0.83 TDP1 (0.67) MEN1KMT2AGAATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695342-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2020-06-30 US disclosed
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-08 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
US-20150030626-A1 IMMUNOMODULATORY CONJUGATES Ascend Biopharamaceuticals Ltd (AU) 2015-01-29 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 (4 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO MEN1 1064/4885KMT2A 3392/4885GAA 367/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 MEN1 4885/4885KMT2A 3110/4885GAA 470/4885
US-20150030626-A1 IMMUNOMODULATORY CONJUGATES CLEC4M, TLR3, CD74 MEN1 965/4885KMT2A 1035/4885GAA 414/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 MEN1 4885/4885KMT2A 3110/4885GAA 470/4885

“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.