SCHEMBL4681102

SCHEMBL4681102

C[C@@H]1CNCCN1C(=O)OCc1cc(OCCCc2ccccc2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
HTR2C P28335 3/20 0.42
DPP7 Q9UHL4 3/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
MAOB P27338 3/20 0.37
S1PR1 P21453 3/20 0.36
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAOA P21397 2/20 0.36
S1PR3 Q99500 2/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL4681109 1.00 DPP4 (0.43) DPP4HTR2CDPP7MTNR1AMTNR1B
SCHEMBL4794487 0.89 DPP4 (0.43) DPP4HTR2CDPP7MAOBMAOA
SCHEMBL5881443 0.89 DPP4 (0.43) DPP4HTR2CDPP7MAOBMAOA
SCHEMBL4680803 0.87 HTR2C (0.58) HTR2CMTNR1AMTNR1BMAOBS1PR1
SCHEMBL4680806 0.87 HTR2C (0.58) HTR2CMTNR1AMTNR1BMAOBS1PR1
SCHEMBL905886 0.87 DPP4 (0.41) DPP4HTR2CDPP7
SCHEMBL4677727 0.87 DPP4 (0.41) DPP4HTR2CDPP7
SCHEMBL4681617 0.87 DPP4 (0.43) DPP4HTR2CDPP7MAOBMAOA
SCHEMBL4681616 0.87 DPP4 (0.43) DPP4HTR2CDPP7MAOBMAOA
Fumaric Acid SCHEMBL4684752 0.86 DPP4 (0.39) DPP4HTR2CDPP7SLC6A4

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 327/4885HTR2C 289/4885DPP7 1320/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 DPP4 327/4885HTR2C 289/4885DPP7 1320/4885

“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.