SCHEMBL2924683

SCHEMBL2924683

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)[C@H](CC(=O)NCc4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOA P21397 1/20 0.35
TP53 P04637 3/20 0.35
THRB P10828 3/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2923072 0.94 TP53 (0.35) MAPTTP53TSHRALDH1A1KCNH2
SCHEMBL2922473 0.93 TMEM97 (0.35) TP53ALDH1A1TMEM97SIGMAR1
SCHEMBL8144287 0.93 MAPT (0.36) MAPTMEN1KMT2AMAOATP53
SCHEMBL8147430 0.93 MAPT (0.36) MAPTMEN1KMT2AMAOATP53
SCHEMBL8147427 0.92 MAPT (0.35) MAPTMEN1KMT2AMAOATP53
SCHEMBL8139374 0.92 MAPT (0.35) MAPTMEN1KMT2AMAOATP53
SCHEMBL2925215 0.91 TP53 (0.37) TP53THRBTSHRALDH1A1TMEM97
SCHEMBL2921748 0.90 TMEM97 (0.34) MEN1KMT2ATP53ALDH1A1TMEM97
SCHEMBL2922840 0.90 TMEM97 (0.35) TP53ALDH1A1TMEM97SIGMAR1
SCHEMBL2917780 0.89 TP53 (0.34) MAPTTP53TSHRALDH1A1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 EP disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-1958634-A2 Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US disclosed
EP-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 MAPT 3109/4885MEN1 3984/4885KMT2A 2879/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 MAPT 4219/4885MEN1 2843/4885KMT2A 2739/4885

“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.