SCHEMBL3908343

SCHEMBL3908343

COCCCN1C(=O)COc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
REN P00797 3/20 0.39
SMPD1 P17405 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 3/20 0.35
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRK1 P41145 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL1034990 0.93 MAPT (0.40) MAPTRENSMPD1L3MBTL1TSHR
SCHEMBL3919417 0.89 MAPT (0.41) MAPTRENSMPD1L3MBTL1TSHR
SCHEMBL1034992 0.87 MAPT (0.39) MAPTRENSMPD1L3MBTL1TSHR
SCHEMBL3906082 0.86 MAPT (0.42) MAPTRENSMPD1L3MBTL1TSHR
SCHEMBL4436996 0.85 REN (0.34) MAPTRENL3MBTL1TSHRCYP3A4
SCHEMBL3877631 0.85 REN (0.34) MAPTRENL3MBTL1TSHRCYP3A4
SCHEMBL1036571 0.84 MAPT (0.41) MAPTRENSMPD1L3MBTL1TSHR
SCHEMBL1036569 0.84 MAPT (0.41) MAPTRENSMPD1L3MBTL1TSHR
SCHEMBL3911082 0.83 MAPT (0.40) MAPTRENSMPD1L3MBTL1TSHR
SCHEMBL4538962 0.81 MAPT (0.40) MAPTRENSMPD1L3MBTL1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
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 (2 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 3262/4885REN 1/4885SMPD1 1415/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 MAPT 4794/4885REN 29/4885SMPD1 1275/4885

“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.