SCHEMBL2921036

SCHEMBL2921036

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.42
MAPT P10636 4/20 0.41
CYP3A4 P08684 3/20 0.40
SMPD1 P17405 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
PIK3CG P48736 2/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
CHRM1 P11229 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
SCHEMBL3553031 0.89 REN (0.41) RENMAPTCYP3A4SMPD1L3MBTL1
SCHEMBL2920668 0.88 REN (0.35) RENMAPT
SCHEMBL2918868 0.83 MAPT (0.40) RENMAPTCYP3A4SMPD1L3MBTL1
SCHEMBL5509732 0.82 REN (0.42) RENMAPTCYP3A4SMPD1L3MBTL1
SCHEMBL2923825 0.82 REN (0.42) RENMAPTCYP3A4SMPD1L3MBTL1
SCHEMBL2924802 0.79 TSHR (0.40) RENMAPTCYP3A4SMPD1L3MBTL1
SCHEMBL2914734 0.79 TSHR (0.40) RENMAPTCYP3A4SMPD1L3MBTL1
SCHEMBL8466898 0.79 REN (0.52) RENCYP3A4
SCHEMBL2924086 0.78 REN (0.40) RENMAPTCYP3A4SMPD1L3MBTL1
SCHEMBL3078776 0.77 REN (0.57) RENCYP3A4

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
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

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 REN 1/4885MAPT 3109/4885CYP3A4 466/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885MAPT 4219/4885CYP3A4 148/4885

“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.