SCHEMBL4145756

SCHEMBL4145756

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.38
LMNA P02545 1/20 0.33
THRB P10828 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 3/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
EDNRB P24530 1/20 0.32
TP53 P04637 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
SCHEMBL1038354 0.92 REN (0.36) RENLMNATHRBCYP3A4CYP2C19
SCHEMBL1038928 0.90 REN (0.35) RENLMNACYP3A4CYP2C19MAPT
SCHEMBL1038489 0.88 THRB (0.36) RENLMNATHRBCYP3A4CYP2C19
SCHEMBL1039229 0.87 REN (0.38) RENLMNATHRBCYP3A4CYP2C19
SCHEMBL4136437 0.87 MAPT (0.42) RENTHRBCYP3A4ALDH1A1MAPT
SCHEMBL3945449 0.86 REN (0.34) RENLMNATHRBCYP3A4CYP2C19
SCHEMBL1038318 0.86 REN (0.37) REN
SCHEMBL1040351 0.86 REN (0.35) RENLMNATHRBCYP3A4CYP2C19
SCHEMBL3904690 0.85 REN (0.37) RENLMNATHRBCYP3A4CYP2C19
SCHEMBL1035197 0.85 REN (0.38) RENLMNATHRBCYP3A4CYP2C19

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 3 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-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 1/4885LMNA 2356/4885THRB 1478/4885

“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.