SCHEMBL6219487

SCHEMBL6219487

CC1(C)CC(=O)Nc2cc(Cl)c(C(=O)CCCl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.41
HDAC4 P56524 6/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
HDAC9 Q9UKV0 6/20 0.41
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
SMYD3 Q9H7B4 4/20 0.35
AHR P35869 2/20 0.33
CMA1 P23946 1/20 0.33
RXRA P19793 2/20 0.33
MAP3K5 Q99683 1/20 0.33
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL5766655 0.90 RARB (0.41) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6221956 0.86 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5792436 0.80 SMYD3 (0.52) SMYD3AHRCMA1
SCHEMBL6218261 0.78 HDAC6 (0.54) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL9371968 0.76 RARB (0.43) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL8543156 0.75 SMYD3 (0.42) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6220043 0.74 RARB (0.37) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6219609 0.74 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6454987 0.73 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL8544376 0.72 MEN1 (0.37) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546143-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2005-06-29 EP disclosed
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 US disclosed
WO-2004026864-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 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 (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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 HDAC3 196/4885HDAC4 414/4885HDAC1 254/4885

“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.