SCHEMBL4510550

SCHEMBL4510550

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)C(=O)NCC4CC4)NC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
REN P00797 2/20 0.34
TSHR P16473 1/20 0.33
NPY5R Q15761 3/20 0.32
ALDH2 P05091 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
BACE1 P56817 1/20 0.30
RORC P51449 2/20 0.30
HTR4 Q13639 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
SCHEMBL4508163 0.97 KMT2A (0.35) KMT2ARENTSHRALDH2
SCHEMBL8004344 0.97 KMT2A (0.35) KMT2ARENTSHRALDH2
SCHEMBL8001001 0.93 KMT2A (0.33) KMT2ARENTSHR
SCHEMBL7992016 0.93 KMT2A (0.33) KMT2ARENTSHR
SCHEMBL8007298 0.92 REN (0.36) KMT2ARENTSHRSMN1; SMN2BACE1
SCHEMBL8007291 0.91 REN (0.33) KMT2ARENTSHRSMN1; SMN2RORC
SCHEMBL4494536 0.91 ALDH1A1 (0.38) KMT2ASMN1; SMN2
SCHEMBL4494535 0.91 ALDH1A1 (0.38) KMT2ASMN1; SMN2
SCHEMBL4492527 0.91 REN (0.33) KMT2ARENTSHR
SCHEMBL8007295 0.91 REN (0.33) KMT2ARENTSHRSMN1; SMN2RORC

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 KMT2A 3832/4885REN 1/4885TSHR 853/4885

“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.