SCHEMBL3908971

SCHEMBL3908971

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](OC[C@@H](O)COCc4ccccc4)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.36
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
THRB P10828 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 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
SCHEMBL3908974 1.00 REN (0.36) RENKMT2AALDH1A1MEN1THRB
SCHEMBL1040647 0.95 REN (0.37) RENKMT2AALDH1A1THRBTP53
SCHEMBL1040648 0.95 REN (0.37) RENKMT2AALDH1A1THRBTP53
SCHEMBL3912632 0.94 REN (0.36) RENALDH1A1THRBTP53CYP3A4
SCHEMBL3912634 0.94 REN (0.36) RENALDH1A1THRBTP53CYP3A4
SCHEMBL3907389 0.91 REN (0.35) RENKMT2AALDH1A1THRBTP53
SCHEMBL3907384 0.91 REN (0.35) RENKMT2AALDH1A1THRBTP53
SCHEMBL3950614 0.91 REN (0.35) REN
SCHEMBL3940945 0.91 REN (0.35) REN
SCHEMBL3950609 0.91 REN (0.35) 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 1/4885KMT2A 3138/4885ALDH1A1 1868/4885

“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.