SCHEMBL3910212

SCHEMBL3910212

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.35
REN P00797 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MCHR1 Q99705 2/20 0.32
MTNR1A P48039 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
RORC P51449 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
SCHEMBL1039582 0.93 THRB (0.36) THRBRENCYP3A4CYP2C19ALDH1A1
SCHEMBL3902895 0.91 REN (0.35) THRBRENCYP3A4CYP2C19ALDH1A1
SCHEMBL3907578 0.91 THRB (0.40) THRBRENCYP3A4CYP2C19ALDH1A1
SCHEMBL3912017 0.91 REN (0.37) THRBRENCYP3A4CYP2C19ALDH1A1
SCHEMBL1036492 0.91 REN (0.37) THRBRENCYP3A4CYP2C19ALDH1A1
SCHEMBL5069719 0.90 REN (0.38) THRBRENCYP3A4CYP2C19ALDH1A1
SCHEMBL3902420 0.90 REN (0.38) THRBRENCYP3A4CYP2C19ALDH1A1
SCHEMBL3942761 0.90 RORC (0.34) THRBRENCYP3A4CYP2C19ALDH1A1
SCHEMBL3950587 0.89 RORC (0.32) THRBRENCYP3A4CYP2C19ALDH1A1
SCHEMBL3950599 0.89 RORC (0.32) THRBRENCYP3A4CYP2C19ALDH1A1

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 THRB 1478/4885REN 1/4885CYP3A4 32/4885

“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.