SCHEMBL17078701

SCHEMBL17078701

COC(=O)c1ccc(CCN2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ HRH1 P35367 1/20 0.47
▸ MGLL Q99685 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ CHRM4 P08173 1/20 0.44

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
SCHEMBL17078589 1.00 OPRM1 (0.49) OPRM1HDAC1HDAC6MEN1KMT2A
SCHEMBL17078793 0.91 MEN1 (0.54) OPRM1HDAC1HDAC6MEN1KMT2A
SCHEMBL17086785 0.90 HDAC1 (0.58) HDAC1HDAC6MEN1KMT2AL3MBTL1
SCHEMBL17078776 0.90 HDAC1 (0.58) HDAC1HDAC6MEN1KMT2AL3MBTL1
SCHEMBL17078737 0.90 HDAC1 (0.58) HDAC1HDAC6MEN1KMT2AL3MBTL1
SCHEMBL17078685 0.90 HDAC1 (0.58) HDAC1HDAC6MEN1KMT2AL3MBTL1
SCHEMBL20420946 0.88 HDAC1 (0.50) OPRM1HDAC1HDAC6MEN1KMT2A
SCHEMBL20420920 0.88 HDAC1 (0.50) OPRM1HDAC1HDAC6MEN1KMT2A
SCHEMBL17078667 0.87 MEN1 (0.64) HDAC1HDAC6MEN1KMT2AL3MBTL1
SCHEMBL17078992 0.86 HDAC6 (0.66) HDAC1HDAC6

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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 — — US disclosed
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 — — EP disclosed
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-06 — — US disclosed
EP-3116859-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2017-01-18 — — EP disclosed
WO-2015137750-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-17 — — WO 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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same HDAC6, HDAC1, HDAC11 OPRM1 3727/4885HDAC1 2/4885HDAC6 1/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 OPRM1 4528/4885HDAC1 2/4885HDAC6 1/4885

“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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