SCHEMBL8004101

SCHEMBL8004101

COCCCN1C(=O)C2(CC2)Oc2ccc(C(=O)OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 3/20 0.41
POLB P06746 3/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2244892 0.91 HPGD (0.41) ALDH1A1MAPTRECQLCYP2C9POLB
SCHEMBL7991936 0.90 ALDH1A1 (0.43) RENALDH1A1CYP2C9POLBKMT2A
SCHEMBL2241026 0.87 ALDH1A1 (0.54) RENALDH1A1MAPTRECQLCYP2C9
SCHEMBL2240295 0.84 REN (0.56) RENALDH1A1MAPTRECQLKDM4E
SCHEMBL2243808 0.84 ALDH1A1 (0.53) RENALDH1A1MAPTRECQLCYP2C9
SCHEMBL8004572 0.83 REN (0.42) RENALDH1A1MAPTKDM4ECYP2C9
SCHEMBL2245572 0.82 REN (0.41) RENALDH1A1MAPTRECQLCYP2C9
SCHEMBL12353558 0.81 REN (0.39) RENALDH1A1MAPTRECQLCYP2C9
SCHEMBL12352873 0.81 REN (0.53) RENALDH1A1MAPTRECQLCYP2C9
SCHEMBL2242627 0.79 REN (0.44) RENALDH1A1MAPTRECQLKDM4E

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 1/4885ALDH1A1 466/4885MAPT 4007/4885

“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.