SCHEMBL4513147

SCHEMBL4513147

COCCCOc1cc(CO[C@@H]2CC[C@@H](CC(C)(C)C(=O)NCC3CCOCC3)NC2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.35
REN P00797 4/20 0.35
ALDH2 P05091 1/20 0.34
CNR2 P34972 2/20 0.34
CYP3A4 P08684 2/20 0.34
GSK3B P49841 1/20 0.33
KCNH2 Q12809 1/20 0.33
CTSD P07339 2/20 0.33
BRD4 O60885 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 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
SCHEMBL4501578 0.92 REN (0.42) F10RENCNR2CYP3A4CTSD
SCHEMBL4520606 0.92 REN (0.35) RENCNR2CYP3A4GSK3BKCNH2
SCHEMBL4498150 0.81 KCNH2 (0.33) RENCNR2GSK3BKCNH2
SCHEMBL4508529 0.81 CNR2 (0.35) RENCNR2GSK3BKCNH2
SCHEMBL4508163 0.81 KMT2A (0.35) RENALDH2GSK3BKCNH2
SCHEMBL8004344 0.81 KMT2A (0.35) RENALDH2GSK3BKCNH2
SCHEMBL4497698 0.81 GSK3B (0.33) RENCNR2CYP3A4GSK3BKCNH2
SCHEMBL4507758 0.80 GSK3B (0.31) GSK3BKCNH2
SCHEMBL4511682 0.79 GSK3B (0.30) CNR2GSK3BKCNH2
SCHEMBL4506150 0.79 REN (0.35) RENCYP1A2CYP2C9

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-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
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO 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 F10 1752/4885REN 1/4885ALDH2 1976/4885

“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.