SCHEMBL4677644

SCHEMBL4677644

CCCCOc1cc(F)c(CO)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
THRB P10828 4/20 0.40
KDM4E B2RXH2 1/20 0.38
THRA P10827 1/20 0.38
GPR17 Q13304 3/20 0.37
KCNH2 Q12809 1/20 0.37
LTA4H P09960 1/20 0.37
NR5A1 Q13285 1/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
PLA2G2A P14555 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4678195 0.92 HTT (0.36) HTTRECQLTHRBGPR17LTA4H
SCHEMBL4680955 0.89 LTA4H (0.42) HTTRECQLLTA4HNR5A1RARA
SCHEMBL4682530 0.86 SLC6A4 (0.39) HTTRECQLTHRBKDM4ETP53
SCHEMBL4678875 0.85 NQO1 (0.34) KDM4E
SCHEMBL4677635 0.84 KDR (0.37) HTTRECQLKDM4ETSHR
SCHEMBL7094266 0.83 PLA2G2A (0.47) THRBTHRALTA4HNR5A1PLA2G2A
SCHEMBL25950034 0.83 TP53 (0.43) THRBKDM4ETHRAGPR17KCNH2
SCHEMBL4678667 0.80 LTA4H (0.39) LTA4HPLA2G2ARAB9A
SCHEMBL15544932 0.78 TAAR1 (0.52) HTTKDM4ERAB9A
SCHEMBL21736797 0.78 LTA4H (0.41) HTTRECQLLTA4HNR5A1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
CN-1277824-C Piperazine derivatives HOFFMANN LA ROCHE (CH) 2006-10-04 CN disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
CN-1533382-A Piperazine derivatives - 2004-09-29 CN disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 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 (2 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTT 3697/4885RECQL 3687/4885THRB 2722/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTT 3697/4885RECQL 3687/4885THRB 2722/4885

“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.