SCHEMBL1072152

SCHEMBL1072152

CC(C)(C)OC(=O)N1C[C@H](Oc2cc3ccccc3nc2Cl)C[C@@]1(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE10A Q9Y233 2/20 0.35
BACE1 P56817 4/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNG7 P62955 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNG1 Q06432 1/20 0.34
CACNB2 Q08289 1/20 0.34

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
SCHEMBL1083306 1.00 MEN1 (0.41) MEN1KMT2APDE10ABACE1ACACB
SCHEMBL1072985 0.86 GPR119 (0.34) MEN1KMT2APDE10ABACE1POLB
SCHEMBL1083425 0.86 GPR119 (0.34) MEN1KMT2APDE10ABACE1POLB
SCHEMBL2434897 0.79 USP30 (0.38) MEN1KMT2APPARACHRM3GPR119
SCHEMBL2439748 0.79 USP30 (0.47) CHRM3GPR119RORCKDM1A
SCHEMBL3305623 0.77 NCEH1 (0.40) MEN1KMT2ARORC
SCHEMBL1273640 0.77 RXFP1 (0.42) MEN1KMT2AACACBPOLBRORC
SCHEMBL1583415 0.77 BACE1 (0.37) BACE1RORC
SCHEMBL1068681 0.77 KDM4E (0.36) MEN1KMT2ABACE1ACACBPOLB
SCHEMBL2059484 0.77 HSD11B1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC MEN1 4761/4885KMT2A 3629/4885PDE10A 3869/4885
US-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 MEN1 3427/4885KMT2A 2619/4885PDE10A 3651/4885

“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.