SCHEMBL3906325

SCHEMBL3906325

COCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)C(=O)CO4)CN(C(=O)O)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.34
POLB P06746 2/20 0.34
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SMPD1 P17405 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
SCHEMBL3949181 0.99 REN (0.39) RENCYP3A4TSHRMAPTTP53
SCHEMBL3911082 0.95 MAPT (0.40) RENCYP3A4TSHRMAPTTP53
SCHEMBL3469067 0.94 REN (0.40) RENCYP3A4TSHRMAPTTP53
SCHEMBL2684184 0.94 REN (0.40) RENCYP3A4TSHRMAPTTP53
SCHEMBL2682976 0.94 REN (0.36) RENCYP3A4TSHRMAPTTP53
SCHEMBL2683775 0.93 REN (0.39) RENTSHRMAPTTP53POLB
SCHEMBL5284061 0.93 REN (0.39) RENTSHRMAPTTP53POLB
SCHEMBL2684820 0.91 TSHR (0.39) RENTSHRMAPTTP53POLB
SCHEMBL1037801 0.90 REN (0.39) RENCYP3A4TSHRMAPTHTR1A
SCHEMBL3902931 0.90 REN (0.38) RENCYP3A4TSHRMAPTTP53

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 1/4885CYP3A4 32/4885TSHR 1026/4885

“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.