SCHEMBL5768388

SCHEMBL5768388

Cc1cc(C(=O)CCl)cc2c1NC(=O)CC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
HDAC3 O15379 6/20 0.37
HDAC4 P56524 6/20 0.37
HDAC1 Q13547 6/20 0.37
HDAC2 Q92769 6/20 0.37
HDAC8 Q9BY41 6/20 0.37
HDAC6 Q9UBN7 6/20 0.37
HDAC9 Q9UKV0 6/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL6220876 0.90 RARB (0.37) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL6747911 0.86 RARB (0.38) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL6746206 0.85 RARB (0.38) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL6450714 0.77 HDAC3 (0.56) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL6220043 0.76 RARB (0.37) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL5766644 0.76 RARB (0.34) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL6219421 0.75 PTGS2 (0.37) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL6221824 0.75 RARB (0.34) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL9561932 0.75 NPC1 (0.40) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6249654 0.75 KMT2A (0.33) RARBRARGKMT2A

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-1701954-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2006-09-20 EP disclosed
WO-2005066165-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-07-21 WO disclosed
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 RARB 653/4885RARG 779/4885HDAC3 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.