SCHEMBL6532607

SCHEMBL6532607

CC1CN(CC(=O)Nc2cccc3ncccc23)C(c2ncnc3sccc23)C(C)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.38
OPRK1 P41145 1/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
PABPC1 P11940 2/20 0.36
EIF4H Q15056 2/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL6532598 0.78 P2RX7 (0.46) P2RX7GAAALDH1A1LMNAHTT
SCHEMBL28748312 0.78 P2RX7 (0.46) P2RX7GAAALDH1A1LMNAHTT
SCHEMBL6527814 0.76 KDR (0.35) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6532211 0.75 HRH3 (0.36) ALDH1A1LMNAHTT
SCHEMBL6337183 0.74 P2RX7 (0.58) P2RX7GAAALDH1A1LMNAHTT
SCHEMBL6337181 0.74 P2RX7 (0.58) P2RX7GAAALDH1A1LMNAHTT
SCHEMBL6489296 0.71 ALDH1A1 (0.36) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6500688 0.69 P2RX7 (0.42) P2RX7GAAALDH1A1LMNAHTT
SCHEMBL6332688 0.69 P2RX7 (0.55) P2RX7GAAALDH1A1LMNAHTT
SCHEMBL6340428 0.69 P2RX7 (0.55) P2RX7GAAALDH1A1LMNAHTT

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 1 patent. 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

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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 P2RX7 32/4885GAA 1394/4885ALDH1A1 187/4885

“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.