SCHEMBL4685294

SCHEMBL4685294

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.56
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
KDM1B Q8NB78 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
ESR2 Q92731 1/20 0.46
GPR119 Q8TDV5 3/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4680855 0.85 YAP1 (0.54) GPR119MEN1KMT2ASMN1; SMN2GAA
SCHEMBL4681262 0.84 GPR119 (0.48) KDM1AGPR119
SCHEMBL4677600 0.83 KDM1A (0.46) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4681824 0.82 ALDH1A1 (0.44) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4156092 0.81 VEGFA (0.58) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4681343 0.78 KDM1A (0.56) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2850833 0.78 KDM1A (0.48) KDM1AESR2GPR119ALDH1A1VEGFA
SCHEMBL4681101 0.77 KDM1A (0.53) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3142935 0.76 MEN1 (0.51) KDM1AESR2GPR119VEGFAEGLN1
SCHEMBL19468313 0.76 KDM1A (0.57) KDM1ATUBB4ATUBBTUBA3CTUBA1B

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 KDM1A 521/4885TUBB4A 615/4885TUBB 1918/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 KDM1A 521/4885TUBB4A 615/4885TUBB 1918/4885

“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.