SCHEMBL3915055

SCHEMBL3915055

C=CCO[C@@H]1CN(C(=O)O)C[C@H](OCc2ccc3c(c2)N(CCCOC)CCO3)[C@H]1c1ccc(OCCCOC)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.37
EGFR P00533 1/20 0.33
GRM5 P41594 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIK3CD O00329 3/20 0.31
PIK3CA P42336 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RORC P51449 3/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 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
SCHEMBL3905454 0.94 REN (0.38) RENEGFRGRM5PIK3CDPIK3CA
SCHEMBL3906174 0.94 REN (0.39) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3905147 0.92 REN (0.35) RENEGFRGRM5RXFP1GAA
SCHEMBL4145730 0.92 REN (0.38) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3902983 0.91 REN (0.34) RENEGFRGRM5RXFP1GAA
SCHEMBL3902981 0.91 REN (0.34) RENEGFRGRM5RXFP1GAA
SCHEMBL3910448 0.91 REN (0.37) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3905412 0.91 REN (0.37) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3915790 0.91 REN (0.37) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3914348 0.90 REN (0.38) RENGRM5PIK3CDPIK3CARORC

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 1/4885EGFR 2448/4885GRM5 1837/4885

“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.