SCHEMBL4678399

SCHEMBL4678399

C[C@@H]1CNC[C@H](C)N1C(=O)OCc1c(F)cc(OCc2ccc(F)c(F)c2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.64
MAOB P27338 6/20 0.45
MAOA P21397 5/20 0.45
PREP P48147 3/20 0.39
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
GRIN2B Q13224 1/20 0.36
HTR6 P50406 2/20 0.36
PARP1 P09874 1/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARA Q07869 1/20 0.35
FFAR1 O14842 1/20 0.35
ANO1 Q5XXA6 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
SCHEMBL4678403 1.00 HTR2C (0.64) HTR2CMAOBMAOAPREPBCL9
SCHEMBL4681265 0.88 HTR2C (0.62) HTR2CMAOBMAOAHTR6
SCHEMBL4681268 0.88 HTR2C (0.62) HTR2CMAOBMAOAHTR6
SCHEMBL4678226 0.87 HTR2C (0.51) HTR2CMAOBMAOABCL9CTNNB1
SCHEMBL4678220 0.87 HTR2C (0.51) HTR2CMAOBMAOABCL9CTNNB1
SCHEMBL4681069 0.86 HTR2C (0.65) HTR2CMAOBGRIN2BFFAR1
SCHEMBL4681076 0.86 HTR2C (0.65) HTR2CMAOBGRIN2BFFAR1
SCHEMBL4681036 0.85 HTR2C (0.61) HTR2C
SCHEMBL4681034 0.85 HTR2C (0.61) HTR2C
SCHEMBL4681003 0.83 HTR2C (0.61) HTR2C

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 4 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
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US 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 289/4885MAOB 2221/4885MAOA 2790/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885MAOB 2221/4885MAOA 2790/4885

“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.