SCHEMBL6334518

SCHEMBL6334518

O=C(O)CC1CC2CCC(C1)N2c1ncnc2sccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 6/20 0.51
NR2F2 P24468 3/20 0.51
NPC1 O15118 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH1 P35367 1/20 0.46
HTR2C P28335 1/20 0.44
MEN1 O00255 1/20 0.43
PEAK1 Q9H792 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
ADCY5 O95622 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
SCHEMBL6336168 0.74 STAT3 (0.46) STAT3NR2F2NPC1HTTMAPT
SCHEMBL6403292 0.74 PKM (0.39) STAT3NR2F2NPC1HTTMAPT
SCHEMBL6332756 0.72 STAT3 (0.48) STAT3NR2F2NPC1HTTMAPT
SCHEMBL6334364 0.71 HRH1 (0.45) STAT3NR2F2NPC1HTTMAPT
SCHEMBL4192433 0.68 HTR2C (0.65) STAT3NR2F2NPC1HTTMAPT
SCHEMBL6489583 0.68 HPGD (0.45) STAT3NR2F2NPC1HTTMAPT
SCHEMBL28322311 0.67 MEN1 (0.64) STAT3NR2F2NPC1HTTMAPT
SCHEMBL4245389 0.65 HTR2C (0.65) STAT3NR2F2NPC1HTTMAPT
SCHEMBL30945075 0.65 HTR2C (0.65) STAT3NR2F2NPC1HTTMAPT
SCHEMBL17516462 0.65 HTR2C (0.65) STAT3NR2F2NPC1HTTMAPT

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 4 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 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

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 STAT3 2251/4885NR2F2 2242/4885NPC1 441/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 STAT3 1757/4885NR2F2 2335/4885NPC1 87/4885

“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.