SCHEMBL4794487

SCHEMBL4794487

CCCCOc1ccc(F)c(COC(=O)N2CCNCC2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2A P28223 2/20 0.37
HPGD P15428 1/20 0.36
CRBN Q96SW2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HTR2C P28335 3/20 0.35
HTR2B P41595 1/20 0.35
MCL1 Q07820 1/20 0.35
MAPT P10636 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
THRB P10828 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL5881443 1.00 DPP4 (0.43) DPP4HRH2HRH1HTR2AHPGD
SCHEMBL905886 0.98 DPP4 (0.41) DPP4HRH2HRH1HTR2AHPGD
SCHEMBL4677727 0.98 DPP4 (0.41) DPP4HRH2HRH1HTR2AHPGD
SCHEMBL4681616 0.96 DPP4 (0.43) DPP4HRH2HRH1HTR2ADPP7
SCHEMBL4681617 0.96 DPP4 (0.43) DPP4HRH2HRH1HTR2ADPP7
Fumaric Acid SCHEMBL4684748 0.95 DPP4 (0.39) DPP4HRH2HRH1HTR2AHPGD
Fumaric Acid SCHEMBL4684752 0.95 DPP4 (0.39) DPP4HRH2HRH1HTR2AHPGD
Fumaric Acid SCHEMBL4684757 0.95 DPP4 (0.39) DPP4HRH2HRH1HTR2AHPGD
Fumaric Acid SCHEMBL4682032 0.91 DPP4 (0.39) DPP4HTR2ADPP7HTR2CHTR2B
Fumaric Acid SCHEMBL4682034 0.91 DPP4 (0.39) DPP4HTR2ADPP7HTR2CHTR2B

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 DPP4 327/4885HRH2 1516/4885HRH1 446/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 DPP4 327/4885HRH2 1516/4885HRH1 446/4885

“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.