SCHEMBL3905412

SCHEMBL3905412

COCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)CCO4)CN(C(=O)O)C[C@H]2OCC(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.37
GRM5 P41594 1/20 0.34
RORC P51449 3/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
PIK3CD O00329 5/20 0.32
PIK3CA P42336 5/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL3906174 0.96 REN (0.39) RENGRM5RORCCYSLTR2CYSLTR1
SCHEMBL3907991 0.94 REN (0.36) RENGRM5RORCCYSLTR2CYSLTR1
SCHEMBL4145730 0.93 REN (0.38) RENGRM5RORCCYSLTR2CYSLTR1
SCHEMBL3914243 0.93 REN (0.35) RENGRM5RORCPIK3CDPIK3CA
SCHEMBL1039086 0.93 REN (0.35) RENGRM5CYSLTR2CYSLTR1
SCHEMBL3915790 0.93 REN (0.37) RENGRM5RORCCYSLTR2CYSLTR1
SCHEMBL3908330 0.92 REN (0.39) RENPIK3CDPIK3CA
SCHEMBL3914348 0.92 REN (0.38) RENGRM5RORCCYSLTR2CYSLTR1
SCHEMBL3907496 0.92 REN (0.38) RENGRM5RORCCYSLTR2CYSLTR1
SCHEMBL3907521 0.92 REN (0.36) RENGRM5RORCCYSLTR2CYSLTR1

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 1/4885GRM5 1837/4885RORC 3676/4885

“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.