SCHEMBL6337181

SCHEMBL6337181

CC1CN(CC(=O)Nc2cccc3ncccc23)CC(C)N1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.58
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RECQL P46063 1/20 0.51
ATM Q13315 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
CLK1 P49759 1/20 0.47
HDAC3 O15379 1/20 0.47
RAB9A P51151 1/20 0.47
PABPC1 P11940 2/20 0.46
EIF4H Q15056 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6337183 1.00 P2RX7 (0.58) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6332688 0.88 P2RX7 (0.55) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6340428 0.88 P2RX7 (0.55) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6332683 0.88 P2RX7 (0.55) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6334441 0.87 ALDH1A1 (0.56) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6334808 0.81 ALDH1A1 (0.54) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28748312 0.76 P2RX7 (0.46) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6334865 0.76 P2RX7 (0.46) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6532598 0.76 P2RX7 (0.46) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6334862 0.76 P2RX7 (0.46) 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 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 P2RX7 32/4885ALDH1A1 187/4885LMNA 3565/4885
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.