SCHEMBL7992016

SCHEMBL7992016

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)C(=O)NC[C@@H]4CCCNC4)NC3)cc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
REN P00797 2/20 0.32
IGLV6-57 P01721 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL8001001 1.00 KMT2A (0.33) KMT2ARENIGLV6-57TSHR
SCHEMBL4510550 0.93 KMT2A (0.38) KMT2ARENTSHR
SCHEMBL8004344 0.91 KMT2A (0.35) KMT2ARENTSHR
SCHEMBL4508163 0.91 KMT2A (0.35) KMT2ARENTSHR
SCHEMBL8007291 0.90 REN (0.33) KMT2ARENTSHR
SCHEMBL8007295 0.90 REN (0.33) KMT2ARENTSHR
SCHEMBL4494536 0.89 ALDH1A1 (0.38) KMT2A
SCHEMBL4494535 0.89 ALDH1A1 (0.38) KMT2A
SCHEMBL8007298 0.87 REN (0.36) KMT2ARENTSHR
SCHEMBL4492527 0.87 REN (0.33) KMT2ARENTSHR

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 KMT2A 3832/4885REN 1/4885IGLV6-57 4737/4885

“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.