SCHEMBL4684517

SCHEMBL4684517

CCC1CNCCN1C(=O)OCc1ccc(OC(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.40
HTR2A P28223 4/20 0.38
HTR2C P28335 1/20 0.37
POLB P06746 1/20 0.37
DPP4 P27487 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 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
SCHEMBL905782 1.00 MEN1 (0.43) MEN1KMT2ALMNAHTR2AHTR2C
Fumaric Acid SCHEMBL4678060 0.94 MEN1 (0.39) MEN1KMT2ALMNAHTR2AHTR2C
Fumaric Acid SCHEMBL4678058 0.94 MEN1 (0.39) MEN1KMT2ALMNAHTR2AHTR2C
Fumaric Acid SCHEMBL4678054 0.94 MEN1 (0.39) MEN1KMT2ALMNAHTR2AHTR2C
SCHEMBL4680459 0.87 HTR2C (0.46) MEN1KMT2ALMNAHTR2AHTR2C
SCHEMBL4680452 0.87 HTR2C (0.46) MEN1KMT2ALMNAHTR2AHTR2C
SCHEMBL28556404 0.83 HTR2C (0.54) MEN1KMT2ALMNAHTR2CKDM4E
SCHEMBL28503174 0.83 HTR2C (0.54) MEN1KMT2ALMNAHTR2CKDM4E
Fumaric Acid SCHEMBL4678144 0.82 HTR2C (0.44) LMNAHTR2AHTR2CPOLBDPP4
Fumaric Acid SCHEMBL4678139 0.82 HTR2C (0.44) LMNAHTR2AHTR2CPOLBDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP claimed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US claimed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US claimed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 EP claimed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US claimed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 WO claimed
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 1694/4885KMT2A 1046/4885LMNA 4209/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 MEN1 1694/4885KMT2A 1046/4885LMNA 4209/4885

“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.