SCHEMBL6218261

SCHEMBL6218261

CC1(C)CC(=O)Nc2ccc(C(=O)CCCl)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.54
HDAC3 O15379 6/20 0.54
HDAC4 P56524 6/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC2 Q92769 6/20 0.54
HDAC8 Q9BY41 6/20 0.54
HDAC9 Q9UKV0 6/20 0.54
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMYD3 Q9H7B4 3/20 0.40
CRBN Q96SW2 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL6454987 0.94 HDAC3 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL6450714 0.89 HDAC3 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL11470235 0.85 HDAC6 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL12467513 0.84 HDAC6 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL9376151 0.80 RARB (0.61) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL1764545 0.80 HDAC3 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL507553 0.80 PGR (0.48)
SCHEMBL6225349 0.79 EPHX2 (0.57) HDAC3EPHX2ALDH1A1MAPTSMYD3
SCHEMBL6219487 0.78 HDAC3 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL6220043 0.78 RARB (0.37) HDAC6HDAC3HDAC4HDAC1HDAC2

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 HDAC6 476/4885HDAC3 196/4885HDAC4 414/4885

“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.