SCHEMBL4677175

SCHEMBL4677175

C=CCOc1cc(F)c(CO)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KAT6A Q92794 5/20 0.38
MAOB P27338 2/20 0.36
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA9 Q16790 5/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
ADRA2A P08913 3/20 0.35
ADRA2B P18089 3/20 0.35
ADRA2C P18825 3/20 0.35
ADRB2 P07550 2/20 0.35
HTR1A P08908 2/20 0.35
CHRM5 P08912 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35

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
SCHEMBL4681126 0.89 HTR2C (0.36) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514486 0.83 MEN1 (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL21736817 0.81 MAOB (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514886 0.81 KAT6A (0.38) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL21728091 0.79 TAAR1 (0.41) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4733374 0.79 MEN1 (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL5047814 0.77 MAPT (0.46) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL15985642 0.77 MAOB (0.40) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514830 0.76 NPC1 (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL17514649 0.76 KAT6A (0.40) MEN1LMNAMAPTKMT2ASMN1; SMN2

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 MEN1 1694/4885LMNA 4209/4885MAPT 2976/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 MEN1 1694/4885LMNA 4209/4885MAPT 2976/4885

“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.