SCHEMBL8004572

SCHEMBL8004572

COCCCN1C(=O)C2(CC2)Oc2ccc(CO)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.42
CYP2D6 P10635 5/20 0.42
CYP2C9 P11712 5/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL2808804 0.86 REN (0.55) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL7991936 0.83 ALDH1A1 (0.43) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL8001089 0.83 REN (0.40) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL3939537 0.83 REN (0.40) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL8004101 0.83 REN (0.41) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL8285646 0.79 BACE1 (0.38) ALDH1A1TSHRRXFP1
SCHEMBL8002172 0.79 TSHR (0.43) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL2339596 0.78 TSHR (0.56) RENCYP2D6CYP2C9CYP3A4TSHR
SCHEMBL7992117 0.78 REN (0.40) RENCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL2805180 0.77 REN (0.48) RENCYP2D6CYP2C9CYP3A4ALDH1A1

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
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO 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 REN 1/4885CYP2D6 239/4885CYP2C9 619/4885

“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.