SCHEMBL4680859

SCHEMBL4680859

C#CCOc1cc(F)c(CO)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.37
LMNA P02545 1/20 0.35
MAOB P27338 8/20 0.33
MAOA P21397 6/20 0.33
KAT6A Q92794 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
CA12 O43570 3/20 0.31
CA4 P22748 3/20 0.31
CA9 Q16790 3/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
PGK1 P00558 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
SCHEMBL4677229 0.89 GSTP1 (0.42) GSTP1MAOBMAOAKAT6ATSHR
SCHEMBL4678875 0.79 NQO1 (0.34) KAT6A
SCHEMBL4741234 0.78 GSTP1 (0.36) GSTP1LMNAMAOBMAOAKAT6A
SCHEMBL4678195 0.76 HTT (0.36) HTT
SCHEMBL4677635 0.75 KDR (0.37) LMNAHTTTSHR
SCHEMBL4681126 0.75 HTR2C (0.36) LMNAMAOBKAT6AHPGDTSHR
SCHEMBL4677644 0.75 HTT (0.44) HTTTSHR
SCHEMBL15544932 0.75 TAAR1 (0.52) LMNAMAOBMAOAHTT
SCHEMBL4682285 0.74 PARP10 (0.41) KAT6A
SCHEMBL4682530 0.74 SLC6A4 (0.39) LMNAHTTTSHR

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 6 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
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
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 GSTP1 1061/4885LMNA 4209/4885MAOB 2221/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 GSTP1 1061/4885LMNA 4209/4885MAOB 2221/4885

“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.