SCHEMBL4136437

SCHEMBL4136437

COCCCN1C(=O)COc2ccc(CO[C@H]3CN(C(=O)O)C(C)[C@@H](O)[C@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.41
REN P00797 3/20 0.40
SMPD1 P17405 1/20 0.39
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
PIK3CG P48736 1/20 0.37
TP53 P04637 3/20 0.37
ALDH1A1 P00352 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL3906082 0.87 MAPT (0.42) MAPTTSHRRENSMPD1CYP3A4
SCHEMBL4145756 0.87 REN (0.38) MAPTRENCYP3A4THRBTP53
SCHEMBL4538962 0.85 MAPT (0.40) MAPTTSHRRENSMPD1CYP3A4
SCHEMBL1036573 0.85 MAPT (0.41) MAPTTSHRRENSMPD1CYP3A4
SCHEMBL3919417 0.85 MAPT (0.41) MAPTTSHRRENSMPD1CYP3A4
SCHEMBL4647385 0.85 MAPT (0.41) MAPTTSHRRENSMPD1CYP3A4
SCHEMBL3911082 0.82 MAPT (0.40) MAPTTSHRRENSMPD1CYP3A4
SCHEMBL1036571 0.81 MAPT (0.41) MAPTTSHRRENSMPD1CYP3A4
SCHEMBL3916024 0.80 TP53 (0.38) MAPTTSHRRENSMPD1CYP3A4
SCHEMBL3908343 0.80 MAPT (0.42) MAPTTSHRRENSMPD1CYP3A4

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 MAPT 3262/4885TSHR 1026/4885REN 1/4885

“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.