SCHEMBL8007993

SCHEMBL8007993

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](C[C@@H](NC(=O)CC4CCOCC4)C(C)C)NC3)cc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.34
BACE1 P56817 1/20 0.33
RORC P51449 5/20 0.32
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL8225046 1.00 REN (0.34) RENBACE1RORCKMT2ATSHR
SCHEMBL8005033 0.89 REN (0.33) RENBACE1
SCHEMBL4501011 0.86 REN (0.33) RENRORCKMT2ATSHR
SCHEMBL8228289 0.86 KMT2A (0.36) RENRORCKMT2ATSHR
SCHEMBL8001171 0.86 KMT2A (0.36) RENRORCKMT2ATSHR
SCHEMBL8002303 0.86 KMT2A (0.36) RENRORCKMT2ATSHR
SCHEMBL8004948 0.84 REN (0.35) RENBACE1RORCKMT2ATSHR
SCHEMBL8001572 0.83 KMT2A (0.35) RENBACE1RORCKMT2ATSHR
SCHEMBL13601245 0.83 KMT2A (0.35) RENBACE1RORCKMT2ATSHR
SCHEMBL8005030 0.82 REN (0.32) RENBACE1

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 3 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

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 1/4885BACE1 1580/4885RORC 3652/4885

“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.