SCHEMBL2925488

SCHEMBL2925488

CCOC(=O)[C@H]1C[C@H](c2ccc(OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)C(=O)CO3)CN1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SMPD1 P17405 1/20 0.39
REN P00797 3/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
CACNA1S Q13698 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ADAM17 P78536 1/20 0.34
ADAM9 Q13443 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
SCHEMBL2924938 0.89 MMP9 (0.35) RENCYP3A4CACNA1SALDH1A1MMP1
SCHEMBL2921432 0.87 TSHR (0.39) MAPTSMPD1RENTSHRL3MBTL1
SCHEMBL4647385 0.85 MAPT (0.41) MAPTSMPD1RENTSHRL3MBTL1
SCHEMBL2921502 0.82 TMEM97 (0.36) RENCACNA1SALDH1A1MMP1MMP3
SCHEMBL2916067 0.82 TMEM97 (0.36) RENCACNA1SALDH1A1MMP1MMP3
SCHEMBL2914734 0.82 TSHR (0.40) MAPTSMPD1RENTSHRL3MBTL1
SCHEMBL2924802 0.82 TSHR (0.40) MAPTSMPD1RENTSHRL3MBTL1
SCHEMBL4646330 0.81 MAPT (0.41) MAPTSMPD1RENTSHRL3MBTL1
SCHEMBL2923548 0.81 TMEM97 (0.35) RENCACNA1SALDH1A1MMP1MMP3
SCHEMBL3077558 0.80 UTS2R (0.42) MAPTSMPD1RENTSHRCYP3A4

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 MAPT 3109/4885SMPD1 545/4885REN 1/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 MAPT 4219/4885SMPD1 190/4885REN 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.