SCHEMBL3907765

SCHEMBL3907765

COCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)CCO4)CN(C(=O)O)C[C@H]2OCCN2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.47
ESR2 Q92731 4/20 0.39
ESR1 P03372 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
EPHX2 P34913 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
CSF1R P07333 2/20 0.35

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 0.94 REN (0.39) REN
SCHEMBL3908330 0.92 REN (0.39) RENKDM4EALDH1A1HRH3
SCHEMBL4145730 0.92 REN (0.38) RENESR2ESR1
SCHEMBL3905412 0.91 REN (0.37) REN
SCHEMBL3915790 0.91 REN (0.37) RENESR2ESR1
SCHEMBL3907496 0.90 REN (0.38) REN
SCHEMBL3914348 0.90 REN (0.38) REN
SCHEMBL3906490 0.90 REN (0.36) RENHRH3
SCHEMBL3905454 0.90 REN (0.38) REN
SCHEMBL3914858 0.90 REN (0.36) REN

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 1/4885ESR2 1387/4885ESR1 2682/4885

“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.