SCHEMBL6344429

SCHEMBL6344429

C[C@@H]1CN(CC(=O)Nc2cccc3ncccc23)CCN1S(=O)(=O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
GAA P10253 1/20 0.47
HSD11B1 P28845 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.44
HDAC3 O15379 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL6344433 1.00 P2RX7 (0.48) P2RX7GAAHSD11B1LMNAALDH1A1
SCHEMBL6503893 0.88 PABPC1 (0.52) P2RX7GAAHSD11B1LMNAALDH1A1
SCHEMBL6503897 0.88 PABPC1 (0.52) P2RX7GAAHSD11B1LMNAALDH1A1
SCHEMBL6334538 0.87 HSD11B1 (0.51) P2RX7GAAHSD11B1LMNAALDH1A1
SCHEMBL6334534 0.87 HSD11B1 (0.51) P2RX7GAAHSD11B1LMNAALDH1A1
SCHEMBL6334725 0.85 HSD11B1 (0.49) P2RX7GAAHSD11B1LMNAALDH1A1
SCHEMBL6334719 0.85 HSD11B1 (0.49) P2RX7GAAHSD11B1LMNAALDH1A1
SCHEMBL6334700 0.84 HSD11B1 (0.48) P2RX7GAAHSD11B1LMNAALDH1A1
SCHEMBL6334636 0.84 HSD11B1 (0.48) P2RX7GAAHSD11B1LMNAALDH1A1
SCHEMBL6334639 0.84 HSD11B1 (0.48) P2RX7GAAHSD11B1LMNAALDH1A1

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
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
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 P2RX7 32/4885GAA 1394/4885HSD11B1 4136/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 P2RX7 37/4885GAA 1113/4885HSD11B1 4053/4885

“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.