SCHEMBL2922801

SCHEMBL2922801

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](CC(C)(C)OC)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 6/20 0.34
PKM P14618 3/20 0.34
ALDH1A1 P00352 2/20 0.34
FKBP1A P62942 1/20 0.33
REN P00797 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKLR P30613 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD11B1 P28845 1/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 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
SCHEMBL2915710 0.95 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2915418 0.95 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2924793 0.94 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2924153 0.94 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2925030 0.94 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2921489 0.94 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2914012 0.94 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2920493 0.93 SMN1; SMN2 (0.34) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2918316 0.93 SMN1; SMN2 (0.34) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2921316 0.93 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19

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 8 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-1897879-A2 2,4,5 substituted piperidines as renin inhibitors Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
EP-1863813-A2 PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 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 SMN1; SMN2 2302/4885MAPT 3109/4885CYP2C9 3835/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 SMN1; SMN2 2529/4885MAPT 4219/4885CYP2C9 171/4885

“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.