SCHEMBL4678912

SCHEMBL4678912

C=CCOc1cc(F)c(COC(=O)N2[C@H](C)CNC[C@@H]2C)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.63
HTR2A P28223 2/20 0.35
KAT6A Q92794 5/20 0.33
CPS1 P31327 6/20 0.32
HTR2B P41595 3/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD4 P21917 1/20 0.31
HRH2 P25021 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
SCHEMBL4678918 1.00 HTR2C (0.63) HTR2CHTR2AKAT6ACPS1HTR2B
SCHEMBL4680858 0.84 HTR2C (0.66) HTR2CKAT6ACPS1LMNARAB9A
SCHEMBL905858 0.84 HTR2C (0.48) HTR2CHTR2AKAT6ACPS1HTR2B
SCHEMBL905856 0.84 HTR2C (0.48) HTR2CHTR2AKAT6ACPS1HTR2B
SCHEMBL4678399 0.83 HTR2C (0.64) HTR2CHTR6
SCHEMBL4678403 0.83 HTR2C (0.64) HTR2CHTR6
Fumaric Acid SCHEMBL4678307 0.81 HTR2C (0.59) HTR2CHTR2AKAT6ACPS1RAB9A
SCHEMBL4680849 0.81 HTR2C (0.61) HTR2CHTR2ACPS1
SCHEMBL4680854 0.81 HTR2C (0.61) HTR2CHTR2ACPS1
SCHEMBL906036 0.81 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 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 289/4885HTR2A 443/4885KAT6A 1746/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885HTR2A 443/4885KAT6A 1746/4885

“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.