SCHEMBL3915249

SCHEMBL3915249

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](OCC(C)(O)COC)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.37
EDNRB P24530 3/20 0.33
THRB P10828 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
MAPT P10636 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
LMNA P02545 1/20 0.32
RORC P51449 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
SCHEMBL3915244 1.00 REN (0.37) RENEDNRBTHRBALDH1A1CYP3A4
SCHEMBL1039229 0.90 REN (0.38) RENEDNRBTHRBALDH1A1CYP3A4
SCHEMBL3904690 0.90 REN (0.37) RENEDNRBTHRBALDH1A1CYP3A4
SCHEMBL1035197 0.89 REN (0.38) RENEDNRBTHRBALDH1A1CYP3A4
SCHEMBL13941502 0.89 REN (0.39) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1040340 0.88 REN (0.37) RENEDNRBTHRBALDH1A1CYP3A4
SCHEMBL5069719 0.88 REN (0.38) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3902420 0.88 REN (0.38) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1038578 0.88 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1040648 0.88 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6

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-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP disclosed
EP-1973903-A1 SUBSTITUTED 4-PHENYLPIPERIDINES Speedel Experimenta AG (CH) 2008-10-01 EP disclosed
WO-2007082907-A1 SUBSTITUTED 4-PHENYLPIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-07-26 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-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES REN, AGTR2, ACE REN 1/4885EDNRB 256/4885THRB 1478/4885

“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.