SCHEMBL6450148

SCHEMBL6450148

CN1C(=O)C(C)(C)C(C)(C)c2cc(C(=O)CCl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBX7 O95931 1/20 0.45
CDYL2 Q8N8U2 1/20 0.45
CDYL Q9Y232 1/20 0.45
CDY1; CDY1B Q9Y6F8 1/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 10/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 7/20 0.40
LMNA P02545 2/20 0.40
IP6K1 Q92551 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL4884359 0.87 CBX7 (0.46) CBX7CDYL2CDYLCDY1; CDY1BGAA
SCHEMBL6746180 0.81 HDAC1 (0.57) CBX7CDYL2CDYLCDY1; CDY1BGAA
SCHEMBL9366946 0.77 MAPT (0.44) CBX7CDYL2CDYLCDY1; CDY1BGAA
SCHEMBL6750978 0.74 MEN1 (0.40) GAATSHRALDH1A1MAPTLMNA
SCHEMBL9205601 0.74 ALDH1A1 (0.47) CBX7CDYL2CDYLCDY1; CDY1BALDH1A1
SCHEMBL5738933 0.70 CYP3A4 (0.51) ALDH1A1HPGDMAPTMAPK1SMN1; SMN2
SCHEMBL31348132 0.69 IP6K1 (0.52) MAPTLMNAIP6K1MEN1KMT2A
SCHEMBL17231387 0.69 MEN1 (0.47) HPGDMAPTMEN1KMT2APOLB
SCHEMBL3935379 0.69 IP6K1 (0.52) MAPTLMNAIP6K1MEN1KMT2A
SCHEMBL4882731 0.69 SMYD3 (0.55) GAAALDH1A1HPGDMAPTLMNA

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 CBX7 309/4885CDYL2 1441/4885CDYL 1626/4885

“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.