SCHEMBL2590243

SCHEMBL2590243

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(N3CCCC3)cc1O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.50
HDAC4 P56524 6/20 0.50
HDAC1 Q13547 6/20 0.50
HDAC7 Q8WUI4 6/20 0.50
HDAC2 Q92769 6/20 0.50
HDAC10 Q969S8 6/20 0.50
HDAC11 Q96DB2 6/20 0.50
HDAC8 Q9BY41 6/20 0.50
HDAC6 Q9UBN7 6/20 0.50
HDAC9 Q9UKV0 6/20 0.50
HDAC5 Q9UQL6 6/20 0.50
KMT2A Q03164 1/20 0.48
PDK2 Q15119 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 4/20 0.44
CYP19A1 P11511 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42

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
SCHEMBL471504 0.86 KMT2A (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175691 0.85 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2588356 0.85 KMT2A (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL538735 0.85 KMT2A (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31235940 0.85 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3493522 0.84 KMT2A (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3493525 0.84 KMT2A (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4256584 0.84 CYP19A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18159367 0.82 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3495220 0.82 KMT2A (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595989-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-05-29 EP disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 WO disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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 (1 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B HDAC3 386/4885HDAC4 858/4885HDAC1 259/4885

“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.