SCHEMBL4678523

SCHEMBL4678523

Cc1ccc(COC(=O)N2CCNCC2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX12 P18054 1/20 0.41
TP53 P04637 1/20 0.40
GRIN2B Q13224 2/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PABPC1 P11940 1/20 0.39

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
Hydrochloric Acid SCHEMBL4682508 0.99 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AMAPK1OPRM1
SCHEMBL4679974 0.83 GRIN2B (0.55) MEN1KMT2AGAASMN1; SMN2GRIN2B
Hydrochloric Acid SCHEMBL4679969 0.82 GRIN2B (0.54) MEN1KMT2AGAAGRIN2BLMNA
SCHEMBL5537620 0.82 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AMAPK1OPRM1
SCHEMBL5537627 0.82 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AMAPK1GAA
SCHEMBL542683 0.80 MEN1 (0.58) MEN1KMT2ASMN1; SMN2GRIN2BRAB9A
SCHEMBL5544257 0.80 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AMAPK1TP53
SCHEMBL17084532 0.79 MEN1 (0.48) L3MBTL1MEN1KMT2ASMN1; SMN2GRIN2B
SCHEMBL543398 0.77 ENPP2 (0.46) MEN1KMT2AMAPK1GAASMN1; SMN2
SCHEMBL4678407 0.76 HTR2C (0.59) L3MBTL1OPRM1OPRD1OPRK1SMN1; SMN2

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 8 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
CN-1277824-C Piperazine derivatives HOFFMANN LA ROCHE (CH) 2006-10-04 CN 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
CN-1533382-A Piperazine derivatives - 2004-09-29 CN 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 L3MBTL1 2739/4885MEN1 1694/4885KMT2A 1046/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 L3MBTL1 2739/4885MEN1 1694/4885KMT2A 1046/4885

“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.