SCHEMBL6498620

SCHEMBL6498620

Cc1ccc(OCCN)cc1NC(=O)CN1C[C@@H](C)N(c2ncc3ccsc3n2)[C@@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.41
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
PI4KB Q9UBF8 3/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
HSF1 Q00613 1/20 0.34
MAPK8 P45983 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL6498617 1.00 KCNA5 (0.41) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6336280 0.82 KCNA5 (0.41) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6336277 0.82 KCNA5 (0.41) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6500012 0.81 MEN1 (0.39) LMNAKDM4EKMT2AL3MBTL1MEN1
SCHEMBL6496976 0.80 ALDH1A1 (0.41) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6496972 0.80 ALDH1A1 (0.41) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6490324 0.78 ALDH1A1 (0.38) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6490321 0.78 ALDH1A1 (0.38) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6336255 0.75 KCNA5 (0.40) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6336259 0.75 KCNA5 (0.40) KCNA5ALDH1A1LMNASMN1; SMN2NPSR1

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 KCNA5 115/4885ALDH1A1 187/4885LMNA 3565/4885

“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.