SCHEMBL6452066

SCHEMBL6452066

CN1C(=O)CC(C)(C)c2cc(CCCl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
RXRA P19793 8/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.36
BACE1 P56817 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
POLB P06746 1/20 0.33
CASP2 P42575 1/20 0.33

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
SCHEMBL6750978 0.80 MEN1 (0.40) PTGDR2MEN1KMT2APOLB
SCHEMBL4887578 0.78 MEN1 (0.52) MEN1KMT2APOLB
SCHEMBL6746180 0.76 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL5736954 0.75 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL9593284 0.75 CYP19A1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL4884442 0.74 POLB (0.51) MEN1KMT2APOLB
SCHEMBL9593368 0.72 ALDH1A1 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6073600 0.72 LMNA (0.51) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6770006 0.71 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL9593493 0.71 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC2

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 HDAC1 254/4885HDAC6 476/4885HDAC3 196/4885

“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.