SCHEMBL18212469

SCHEMBL18212469

C[C@H](CN1CC2CCC2C1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
HDAC4 P56524 3/20 0.41
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.39
CTSK P43235 9/20 0.39
CTSS P25774 3/20 0.39
CYP2D6 P10635 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
TSHR P16473 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL18212478 0.94 HDAC4 (0.43) CA1CA2CA7HDAC4KMT2A
SCHEMBL18212442 0.91 CA1 (0.42) CA1CA2CA7HDAC4KMT2A
SCHEMBL18215100 0.86 HDAC4 (0.43) CA1CA2CA7HDAC4KMT2A
SCHEMBL29758955 0.86 HDAC4 (0.43) CA1CA2CA7HDAC4KMT2A
SCHEMBL14751253 0.85 CA1 (0.42) CA1CA2CA7HDAC4KMT2A
SCHEMBL18212502 0.83 HDAC4 (0.43) CA1CA2CA7HDAC4KMT2A
SCHEMBL14751225 0.82 CA1 (0.39) CA1CA2CA7HDAC4KMT2A
SCHEMBL14738146 0.82 CA1 (0.39) CA1CA2CA7HDAC4KMT2A
SCHEMBL14738147 0.82 CA1 (0.39) CA1CA2CA7HDAC4KMT2A
SCHEMBL14737016 0.82 CTSK (0.43) CA1CA2CA7CTSKCTSS

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
EP-3291810-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2022-08-10 EP disclosed
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US disclosed
WO-2016179554-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2016-11-10 WO disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 US disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 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 (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-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CA1 321/4885CA2 928/4885CA7 315/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CA1 321/4885CA2 928/4885CA7 315/4885

“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.