SCHEMBL6340428

SCHEMBL6340428

C[C@@H]1CN(CC(=O)Nc2cccc3ncccc23)CCN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.55
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RECQL P46063 1/20 0.48
HDAC3 O15379 1/20 0.47
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
CLK1 P49759 1/20 0.45
RAB9A P51151 1/20 0.45
OPRK1 P41145 1/20 0.44
CYP2C19 P33261 1/20 0.44
APP P05067 1/20 0.43
PABPC1 P11940 1/20 0.43
EIF4H Q15056 1/20 0.43

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
SCHEMBL6332683 1.00 P2RX7 (0.55) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6332688 1.00 P2RX7 (0.55) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6337181 0.88 P2RX7 (0.58) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6337183 0.88 P2RX7 (0.58) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6334441 0.80 ALDH1A1 (0.56) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6344433 0.77 P2RX7 (0.48) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6344429 0.77 P2RX7 (0.48) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6334538 0.76 HSD11B1 (0.51) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6334534 0.76 HSD11B1 (0.51) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6334808 0.76 ALDH1A1 (0.54) P2RX7ALDH1A1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1330657-C Piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2007-08-08 CN 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
CN-1434827-A Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-08-06 CN 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 (1 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-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 P2RX7 37/4885ALDH1A1 68/4885LMNA 3352/4885

“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.