SCHEMBL4677560

SCHEMBL4677560

C[C@@H]1CNC[C@H](C)N1C(=O)OCc1cc(OCc2cccnc2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.51
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
SLC6A4 P31645 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
AOC3 Q16853 1/20 0.40
GPR132 Q9UNW8 4/20 0.40
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL4677567 1.00 HTR2C (0.51) HTR2CBRD4CREBBPSLC6A4LMNA
SCHEMBL4681941 0.89 HTR2C (0.66) HTR2CCREBBPLMNA
SCHEMBL4681939 0.89 HTR2C (0.66) HTR2CCREBBPLMNA
Hydrochloric Acid SCHEMBL4681309 0.88 HTR2C (0.65) HTR2CCREBBPLMNA
Hydrochloric Acid SCHEMBL4681302 0.88 HTR2C (0.65) HTR2CCREBBPLMNA
SCHEMBL4681000 0.87 HTR2C (0.61) HTR2CBRD4CREBBPSLC6A4LMNA
SCHEMBL4681003 0.87 HTR2C (0.61) HTR2CBRD4CREBBPSLC6A4LMNA
SCHEMBL4677402 0.86 HTR2C (0.54) HTR2CMAOA
SCHEMBL4677399 0.86 HTR2C (0.54) HTR2CMAOA
SCHEMBL4678220 0.85 HTR2C (0.51) HTR2CMAOA

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 289/4885BRD4 170/4885CREBBP 497/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885BRD4 170/4885CREBBP 497/4885

“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.