SCHEMBL3465107

SCHEMBL3465107

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](COc4cccc(OC)c4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
PKM P14618 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.34
CASP3 P42574 5/20 0.34
CASP7 P55210 5/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP6 P55212 1/20 0.32
FKBP1A P62942 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 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
SCHEMBL2919070 0.96 CASP3 (0.39) LMNAPKMPOLBNPC1CASP3
SCHEMBL3950592 0.91 NPC1 (0.34) LMNAPKMPOLBNPC1CASP3
SCHEMBL2922299 0.91 NPC1 (0.34) LMNAPKMPOLBNPC1CASP3
SCHEMBL2913954 0.90 LMNA (0.37) LMNAPKMPOLBNPC1ALDH1A1
SCHEMBL5510100 0.90 LMNA (0.37) LMNAPKMPOLBNPC1ALDH1A1
SCHEMBL2922334 0.90 NPC1 (0.35) LMNAPKMPOLBNPC1ALDH1A1
SCHEMBL2920405 0.90 FKBP1A (0.36) LMNAPKMNPC1ALDH1A1SMN1; SMN2
SCHEMBL2919704 0.90 NPC1 (0.35) LMNAPKMPOLBNPC1ALDH1A1
SCHEMBL2917136 0.90 NPC1 (0.35) LMNAPKMPOLBNPC1ALDH1A1
SCHEMBL2923765 0.89 NPC1 (0.34) LMNAPKMPOLBNPC1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 655/4885PKM 1874/4885POLB 2005/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 LMNA 2502/4885PKM 1363/4885POLB 2217/4885

“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.