SCHEMBL4502114

SCHEMBL4502114

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)C(=O)NC4CCC(OC)CC4)NC3)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
DRD2 P14416 5/20 0.32
HTR2A P28223 5/20 0.32
DRD3 P35462 5/20 0.32
TSHR P16473 2/20 0.32
HTR4 Q13639 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA2C P18825 1/20 0.32
ACHE P22303 1/20 0.32
PTGS1 P23219 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR3A P46098 1/20 0.32
KCNH2 Q12809 1/20 0.32
BACE1 P56817 1/20 0.31
KMT2A Q03164 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
SCHEMBL13601221 1.00 REN (0.34) RENDRD2HTR2ADRD3TSHR
SCHEMBL4502016 0.94 REN (0.34) RENTSHRHTR4HTR1AADRA2C
SCHEMBL8007298 0.91 REN (0.36) RENTSHRBACE1KMT2A
SCHEMBL8004194 0.90 REN (0.34) RENTSHRBACE1KMT2A
SCHEMBL8007301 0.89 REN (0.37) RENTSHRBACE1KMT2A
SCHEMBL4510550 0.88 KMT2A (0.38) RENTSHRHTR4BACE1KMT2A
SCHEMBL4495264 0.87 REN (0.35) RENTSHRKMT2A
SCHEMBL4508163 0.86 KMT2A (0.35) RENTSHRKCNH2KMT2A
SCHEMBL8002232 0.86 REN (0.33) RENTSHRBACE1KMT2A
SCHEMBL8004344 0.86 KMT2A (0.35) RENTSHRKCNH2KMT2A

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 1 patent. 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

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 1/4885DRD2 69/4885HTR2A 738/4885

“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.