SCHEMBL4681076

SCHEMBL4681076

CC1CNCC(C)N1C(=O)OCc1c(F)cc(OCc2ccoc2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.65
ACACB O00763 1/20 0.34
CHRNA4 P43681 4/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA7 P36544 1/20 0.32
CPS1 P31327 6/20 0.32
FFAR1 O14842 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MAOB P27338 1/20 0.31
GRIN2B Q13224 1/20 0.31
CETP P11597 1/20 0.31

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
SCHEMBL4681069 1.00 HTR2C (0.65) HTR2CACACBCHRNA4CHRNB2CHRNB4
Fumaric Acid SCHEMBL4681185 0.94 HTR2C (0.59) HTR2CACACBFFAR1PTGS1PTGS2
Fumaric Acid SCHEMBL4681179 0.94 HTR2C (0.59) HTR2CACACBFFAR1PTGS1PTGS2
Fumaric Acid SCHEMBL4681183 0.94 HTR2C (0.59) HTR2CACACBFFAR1PTGS1PTGS2
SCHEMBL4678399 0.86 HTR2C (0.64) HTR2CFFAR1MAOBGRIN2B
SCHEMBL4678403 0.86 HTR2C (0.64) HTR2CFFAR1MAOBGRIN2B
SCHEMBL4681268 0.84 HTR2C (0.62) HTR2CMAOB
SCHEMBL4681265 0.84 HTR2C (0.62) HTR2CMAOB
SCHEMBL4681034 0.83 HTR2C (0.61) HTR2CCPS1
SCHEMBL4681036 0.83 HTR2C (0.61) HTR2CCPS1

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 HTR2C 289/4885ACACB 3103/4885CHRNA4 1719/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885ACACB 3103/4885CHRNA4 1719/4885

“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.