SCHEMBL4682189

SCHEMBL4682189

OCc1ccc(OCC2CCCCC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.50
PARP15 Q460N3 6/20 0.50
PARP2 Q9UGN5 1/20 0.44
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
FFAR1 O14842 1/20 0.40
HPGD P15428 2/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL2136549 0.92 PARP15 (0.46) PARP10PARP15PARP2
SCHEMBL2195417 0.85 NFE2L2 (0.55) HPGDGRM2
SCHEMBL30791991 0.80 XDH (0.44)
SCHEMBL23554540 0.80 XDH (0.44)
SCHEMBL23530261 0.78 RAB9A (0.49) HPGD
SCHEMBL18706934 0.78 CHRNB2 (0.57) PARP10PARP15PARP2MAOAMAOB
SCHEMBL28067029 0.78 PARP10 (0.53) PARP10PARP15PARP2MAOAMAOB
SCHEMBL20038304 0.78 PARP10 (0.49) PARP10PARP15PARP2MAOAMAOB
SCHEMBL1564278 0.78 CHRNB2 (0.58) PARP10PARP15MAOAMAOBGRM2
SCHEMBL1391095 0.77 PARP10 (0.59) PARP10PARP15PARP2FFAR1HPGD

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 PARP10 1616/4885PARP15 929/4885PARP2 1495/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 PARP10 1616/4885PARP15 929/4885PARP2 1495/4885

“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.