SCHEMBL2914580

SCHEMBL2914580

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)[C@H](CC(=O)N(C)Cc4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1S Q13698 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 1/20 0.33
MMP9 P14780 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAM9 Q13443 1/20 0.32
HCRTR2 O43614 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
BMP1 P13497 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TACR1 P25103 1/20 0.31
P2RX4 Q99571 1/20 0.31

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
SCHEMBL2921748 0.95 TMEM97 (0.34) CACNA1STMEM97SIGMAR1TP53MMP9
SCHEMBL2922473 0.92 TMEM97 (0.35) CACNA1STMEM97SIGMAR1TP53MMP9
SCHEMBL2917220 0.92 CACNA1S (0.32) CACNA1STMEM97SIGMAR1
SCHEMBL2921446 0.91 MAPT (0.31) CACNA1S
SCHEMBL2916830 0.91 MEN1 (0.33) CACNA1STP53TACR1
SCHEMBL2925215 0.90 TP53 (0.37) CACNA1STMEM97SIGMAR1TP53MMP9
SCHEMBL2925718 0.90 TMEM97 (0.33) CACNA1STMEM97SIGMAR1TP53MMP9
SCHEMBL2923072 0.90 TP53 (0.35) CACNA1STMEM97SIGMAR1TP53MMP9
SCHEMBL2922840 0.89 TMEM97 (0.35) CACNA1STMEM97SIGMAR1TP53MMP9
SCHEMBL2924683 0.89 MAPT (0.38) TMEM97SIGMAR1TP53ALDH1A1

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 CACNA1S 849/4885TMEM97 3298/4885SIGMAR1 1382/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 CACNA1S 587/4885TMEM97 2537/4885SIGMAR1 1244/4885

“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.