SCHEMBL4520606

SCHEMBL4520606

COCCCOc1cc(CO[C@@H]2CC[C@@H](CC(C)(C)C(=O)NCC3CCOCC3)NC2)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.35
CYP3A4 P08684 1/20 0.34
GSK3B P49841 2/20 0.34
KCNH2 Q12809 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
BRD4 O60885 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
RIPK2 O43353 1/20 0.32
HTR7 P34969 1/20 0.32
CNR2 P34972 2/20 0.32

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
SCHEMBL4501578 0.93 REN (0.42) RENCYP3A4NPC1RAB9ACNR2
SCHEMBL4513147 0.92 F10 (0.35) RENCYP3A4GSK3BKCNH2BRD4
SCHEMBL4498150 0.84 KCNH2 (0.33) RENGSK3BKCNH2NPC1RAB9A
SCHEMBL4497698 0.83 GSK3B (0.33) RENCYP3A4GSK3BKCNH2BRD4
SCHEMBL4508529 0.82 CNR2 (0.35) RENGSK3BKCNH2CNR2
SCHEMBL4508163 0.81 KMT2A (0.35) RENGSK3BKCNH2
SCHEMBL8004344 0.81 KMT2A (0.35) RENGSK3BKCNH2
SCHEMBL4507758 0.80 GSK3B (0.31) GSK3BKCNH2
SCHEMBL4511682 0.80 GSK3B (0.30) GSK3BKCNH2CNR2
SCHEMBL4506150 0.79 REN (0.35) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 REN 1/4885CYP3A4 542/4885GSK3B 4815/4885

“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.