SCHEMBL4677600

SCHEMBL4677600

CC(C)(C)OC(=O)N1CCN(C(=O)SCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.46
ALDH1A1 P00352 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
KDM1B Q8NB78 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 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
SCHEMBL4685294 0.83 KDM1A (0.56) KDM1AALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL2852762 0.81 HTR2A (0.45) ALDH1A1SMN1; SMN2THRBGPR119LMNA
SCHEMBL4681411 0.80 VEGFA (0.45) KDM1AALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4680855 0.79 YAP1 (0.54) SMN1; SMN2GAATHRBGPR119
SCHEMBL4681824 0.79 ALDH1A1 (0.44) KDM1AALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4681262 0.78 GPR119 (0.48) KDM1AGPR119
SCHEMBL4245582 0.76 ALDH1A1 (0.73) ALDH1A1GPR119MAPT
SCHEMBL31683443 0.70 CYP11B2 (0.48) ALDH1A1SMN1; SMN2GPR119LMNAMAPT
SCHEMBL22605496 0.70 ALDH1A1 (0.53) ALDH1A1GPR119MAPT
SCHEMBL19468313 0.69 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 521/4885ALDH1A1 4/4885TUBB4A 615/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 KDM1A 521/4885ALDH1A1 4/4885TUBB4A 615/4885

“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.