SCHEMBL4680855

SCHEMBL4680855

CC(C)(C)OC(=O)N1CCN(C(=O)SCc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.54
PRMT5 O14744 4/20 0.51
GPR119 Q8TDV5 5/20 0.49
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
STS P08842 1/20 0.45
TLR9 Q9NR96 1/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL4681262 0.90 GPR119 (0.48) YAP1GPR119
SCHEMBL4685294 0.85 KDM1A (0.56) GPR119GAATHRBSMN1; SMN2MEN1
SCHEMBL11338761 0.83 FAAH (0.64) YAP1SMN1; SMN2MEN1KMT2AFAAH
SCHEMBL2883449 0.82 GPR119 (0.58) YAP1PRMT5GPR119SMN1; SMN2ACHE
SCHEMBL4681245 0.81 EGFR (0.52) SMN1; SMN2FAAH
SCHEMBL20423428 0.80 HTT (0.63) YAP1SMN1; SMN2
Hydrochloric Acid SCHEMBL4681412 0.80 EGFR (0.54) SMN1; SMN2FAAH
SCHEMBL7043443 0.80 ALDH1A1 (0.69) YAP1PRMT5GPR119STS
SCHEMBL4677600 0.79 KDM1A (0.46) GPR119GAATHRBSMN1; SMN2
SCHEMBL28956413 0.79 FAAH (0.64) YAP1SMN1; SMN2MEN1KMT2AFAAH

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 YAP1 1629/4885PRMT5 69/4885GPR119 667/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 YAP1 1629/4885PRMT5 69/4885GPR119 667/4885

“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.