SCHEMBL2913954

SCHEMBL2913954

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](COCc4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
PKM P14618 4/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
MMP1 P03956 4/20 0.34
MMP9 P14780 4/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 2/20 0.34
MMP13 P45452 2/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.33
MMP7 P09237 3/20 0.32
MMP12 P39900 2/20 0.32
MMP14 P50281 2/20 0.32
MMP15 P51511 2/20 0.32
MMP16 P51512 2/20 0.32
MMP26 Q9NRE1 2/20 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
SCHEMBL5510100 1.00 LMNA (0.37) LMNAPKMMAPTALDH1A1SMN1; SMN2
SCHEMBL2925527 0.95 FKBP1A (0.38) LMNAPKMMAPTALDH1A1SMN1; SMN2
SCHEMBL2924022 0.95 LMNA (0.38) LMNAPKMMAPTALDH1A1SMN1; SMN2
SCHEMBL2919070 0.93 CASP3 (0.39) LMNAPKMMAPTALDH1A1SMN1; SMN2
SCHEMBL2922299 0.91 NPC1 (0.34) LMNAPKMMAPTALDH1A1SMN1; SMN2
SCHEMBL3950592 0.91 NPC1 (0.34) LMNAPKMMAPTALDH1A1SMN1; SMN2
SCHEMBL3465107 0.90 LMNA (0.36) LMNAPKMMAPTALDH1A1SMN1; SMN2
SCHEMBL2922334 0.90 NPC1 (0.35) LMNAPKMMAPTALDH1A1SMN1; SMN2
SCHEMBL2920405 0.90 FKBP1A (0.36) LMNAPKMMAPTALDH1A1SMN1; SMN2
SCHEMBL2915001 0.90 FKBP1A (0.38) LMNAPKMMAPTALDH1A1SMN1; SMN2

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 LMNA 655/4885PKM 1874/4885MAPT 3109/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 LMNA 2502/4885PKM 1363/4885MAPT 4219/4885

“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.