SCHEMBL6334608

SCHEMBL6334608

Cc1cccc(C)c1NC(=O)CN1CCN(c2ncnc3sccc23)C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
KMT2A Q03164 3/20 0.42
HRH1 P35367 2/20 0.41
KCNA5 P22460 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HIF1A Q16665 1/20 0.40
NR2F2 P24468 2/20 0.39
STAT3 P40763 1/20 0.39
KCNH2 Q12809 3/20 0.39
ADRB1 P08588 2/20 0.39
CYP3A4 P08684 2/20 0.39
ADRA2A P08913 2/20 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
SCHEMBL6342770 0.88 ALDH1A1 (0.41) LMNAKMT2AHRH1KCNA5MAPT
SCHEMBL6342765 0.88 ALDH1A1 (0.41) LMNAKMT2AHRH1KCNA5MAPT
SCHEMBL6332457 0.86 PI4KB (0.40) LMNAKMT2AHRH1KDM4EMAPT
SCHEMBL6332759 0.78 MEN1 (0.44) LMNAKMT2AHRH1MAPTMAPK1
SCHEMBL6332762 0.78 MEN1 (0.44) LMNAKMT2AHRH1MAPTMAPK1
SCHEMBL6334427 0.77 L3MBTL1 (0.41) LMNAKMT2AHRH1KCNA5MEN1
SCHEMBL6334432 0.77 L3MBTL1 (0.41) LMNAKMT2AHRH1KCNA5MEN1
SCHEMBL6335337 0.75 MAPT (0.51) LMNAKMT2AHRH1KDM4EMAPT
SCHEMBL27572530 0.74 MAPK1 (0.38) LMNAKMT2AHRH1MAPTMAPK1
SCHEMBL6489296 0.74 ALDH1A1 (0.36) LMNAKMT2AKCNA5MAPTALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US claimed
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US claimed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP claimed
CN-1434827-A Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-08-06 CN claimed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US claimed
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
CN-1436232-A Variants with altered properties NOVOZYMES AS (DK) 2003-08-13 CN disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 LMNA 3565/4885KMT2A 2331/4885HRH1 244/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 LMNA 3352/4885KMT2A 2632/4885HRH1 174/4885

“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.