SCHEMBL4680884

SCHEMBL4680884

COc1ccc(F)c(COC(=O)N2[C@H](C)CNC[C@@H]2C)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.54
MTNR1B P49286 2/20 0.44
CPS1 P31327 6/20 0.42

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
SCHEMBL4680891 1.00 HTR2C (0.54) HTR2CMTNR1BCPS1
Hydrochloric Acid SCHEMBL4678664 0.99 HTR2C (0.53) HTR2CMTNR1BCPS1
Hydrochloric Acid SCHEMBL4678657 0.99 HTR2C (0.53) HTR2CMTNR1BCPS1
SCHEMBL4678073 0.89 HTR2C (0.52) HTR2CMTNR1BCPS1
SCHEMBL4678067 0.89 HTR2C (0.52) HTR2CMTNR1BCPS1
SCHEMBL4678967 0.89 HTR2C (0.52) HTR2CCPS1
SCHEMBL4678970 0.89 HTR2C (0.52) HTR2CCPS1
Hydrochloric Acid SCHEMBL4678324 0.88 HTR2C (0.51) HTR2CMTNR1BCPS1
Hydrochloric Acid SCHEMBL4678328 0.88 HTR2C (0.51) HTR2CMTNR1BCPS1
SCHEMBL4684548 0.87 HTR2C (0.57) 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 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 289/4885MTNR1B 492/4885CPS1 1551/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885MTNR1B 492/4885CPS1 1551/4885

“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.