SCHEMBL4494535

SCHEMBL4494535

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)C(=O)NC[C@@H]4CCCO4)NC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
HPGD P15428 9/20 0.38
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 6/20 0.38
GAA P10253 4/20 0.38
GLA P06280 2/20 0.38
RXFP1 Q9HBX9 1/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 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
SCHEMBL4494536 1.00 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL4510550 0.91 KMT2A (0.38) SMN1; SMN2KMT2A
SCHEMBL8007291 0.90 REN (0.33) CYP1A2CYP3A4NPSR1LMNACYP2D6
SCHEMBL8007295 0.90 REN (0.33) CYP1A2CYP3A4NPSR1LMNACYP2D6
SCHEMBL8004344 0.90 KMT2A (0.35) THRBKMT2A
SCHEMBL4508163 0.90 KMT2A (0.35) THRBKMT2A
SCHEMBL7992016 0.89 KMT2A (0.33) KMT2A
SCHEMBL8001001 0.89 KMT2A (0.33) KMT2A
SCHEMBL8007298 0.88 REN (0.36) SMN1; SMN2KMT2A
SCHEMBL4492527 0.88 REN (0.33) THRBKMT2A

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 5 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-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 ALDH1A1 466/4885HPGD 790/4885KDM4E 2504/4885

“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.