SCHEMBL6334571

SCHEMBL6334571

Cn1cnc2c(N3C4CCC3CN(CC(=O)Nc3cccc5ncccc35)C4)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 1/20 0.40
HDAC3 O15379 1/20 0.40
ATM Q13315 1/20 0.39
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CLK1 P49759 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6335936 0.84 MEN1 (0.44) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6531850 0.83 P2RX7 (0.44) P2RX7GAAALDH1A1LMNAHTT
SCHEMBL6334808 0.77 ALDH1A1 (0.54) P2RX7GAAALDH1A1LMNAHTT
SCHEMBL6404299 0.76 BRAF (0.37) ALDH1A1LMNAMEN1KMT2ARECQL
SCHEMBL6334422 0.76 HPGD (0.46) GAAALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6489320 0.76 HPGD (0.46) GAAALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6408514 0.75 KDM4E (0.36) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6343579 0.75 SMN1; SMN2 (0.40) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL6500688 0.75 P2RX7 (0.42) P2RX7GAAALDH1A1LMNAHTT
SCHEMBL6337116 0.74 PIK3CD (0.34) MEN1KMT2A

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 13 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
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US claimed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 WO 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
US-20050166938-A1 Device for treating keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-08-04 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 P2RX7 32/4885GAA 1394/4885ALDH1A1 187/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 P2RX7 37/4885GAA 1113/4885ALDH1A1 68/4885

“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.