SCHEMBL2924938

SCHEMBL2924938

CCOC(=O)[C@H]1C[C@H](c2ccc(OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1C(=O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
ADAM17 P78536 1/20 0.35
ADAM9 Q13443 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TP53 P04637 1/20 0.34
ALDH1A1 P00352 5/20 0.33
REN P00797 2/20 0.33
MMP7 P09237 1/20 0.33
MMP13 P45452 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
P2RX4 Q99571 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CACNA1S Q13698 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL2921502 0.94 TMEM97 (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL2916067 0.94 TMEM97 (0.36) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL2923548 0.92 TMEM97 (0.35) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL2921899 0.91 TP53 (0.37) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL5510524 0.91 TMEM97 (0.35) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL2920401 0.91 TMEM97 (0.35) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL8136465 0.90 REN (0.32) ALDH1A1RENNPSR1CYP3A4CYP2D6
SCHEMBL8139416 0.90 REN (0.32) ALDH1A1RENNPSR1CYP3A4CYP2D6
SCHEMBL2925215 0.89 TP53 (0.37) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL8141987 0.89 REN (0.32) ALDH1A1RENNPSR1CYP3A4CYP2D6

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 MMP9 2176/4885MMP1 564/4885MMP3 443/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 MMP9 525/4885MMP1 435/4885MMP3 216/4885

“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.