SCHEMBL6336255

SCHEMBL6336255

CNCCOc1ccc(C)c(NC(=O)CN2CC(C)N(c3ncnc4sccc34)C(C)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.40
KDR P35968 2/20 0.37
NR2F2 P24468 2/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNH2 Q12809 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34

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
SCHEMBL6336259 1.00 KCNA5 (0.40) KCNA5KDRNR2F2MAPTHTT
SCHEMBL6336277 0.92 KCNA5 (0.41) KCNA5KDRNR2F2MAPTHTT
SCHEMBL6336280 0.92 KCNA5 (0.41) KCNA5KDRNR2F2MAPTHTT
SCHEMBL27579324 0.90 KCNA5 (0.38) KCNA5KDRNR2F2MAPTHTT
SCHEMBL6343267 0.88 KDR (0.38) KCNA5KDRNR2F2MAPTHTT
SCHEMBL7571951 0.88 KCNA5 (0.42) KCNA5MAPTHTTLMNASMN1; SMN2
SCHEMBL6337050 0.86 SMN1; SMN2 (0.40) KDRMAPTHTTLMNASMN1; SMN2
SCHEMBL6337051 0.86 SMN1; SMN2 (0.40) KDRMAPTHTTLMNASMN1; SMN2
SCHEMBL6334345 0.84 HRH3 (0.38) KCNA5KDRNR2F2PKM
SCHEMBL6334344 0.84 HRH3 (0.38) KCNA5KDRNR2F2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US claimed
US-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US disclosed
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
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 KCNA5 115/4885KDR 1927/4885NR2F2 2242/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 KCNA5 238/4885KDR 1204/4885NR2F2 2335/4885

“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.