SCHEMBL3906174

SCHEMBL3906174

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.39
GRM5 P41594 1/20 0.35
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
RORC P51449 4/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
TSHR P16473 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
SCHEMBL3915790 0.97 REN (0.37) RENGRM5PIK3CDPIK3CARORC
SCHEMBL4145730 0.96 REN (0.38) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3905412 0.96 REN (0.37) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3908632 0.95 UTS2R (0.38) RENGRM5PIK3CDPIK3CA
SCHEMBL3907496 0.95 REN (0.38) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3914348 0.95 REN (0.38) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3905454 0.94 REN (0.38) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3906490 0.94 REN (0.36) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3914858 0.94 REN (0.36) RENGRM5PIK3CDPIK3CARORC
SCHEMBL3902447 0.94 REN (0.39) 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 1/4885GRM5 1837/4885PIK3CD 1927/4885

“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.