SCHEMBL2925527

SCHEMBL2925527

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](COCCCc4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.38
LMNA P02545 4/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP13 P45452 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2913954 0.95 LMNA (0.37) FKBP1ALMNAMAPTNPC1PKM
SCHEMBL5510100 0.95 LMNA (0.37) FKBP1ALMNAMAPTNPC1PKM
SCHEMBL2919070 0.92 CASP3 (0.39) FKBP1ALMNAMAPTNPC1PKM
SCHEMBL2924022 0.91 LMNA (0.38) FKBP1ALMNAMAPTNPC1PKM
SCHEMBL2922299 0.90 NPC1 (0.34) FKBP1ALMNAMAPTNPC1PKM
SCHEMBL3950592 0.90 NPC1 (0.34) FKBP1ALMNAMAPTNPC1PKM
SCHEMBL2915001 0.89 FKBP1A (0.38) FKBP1ALMNAMAPTNPC1PKM
SCHEMBL3465107 0.89 LMNA (0.36) FKBP1ALMNAMAPTNPC1PKM
SCHEMBL2920405 0.89 FKBP1A (0.36) FKBP1ALMNAMAPTNPC1PKM
SCHEMBL2922334 0.89 NPC1 (0.35) FKBP1ALMNAMAPTNPC1PKM

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 7 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
EP-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO 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 FKBP1A 3930/4885LMNA 655/4885MAPT 3109/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 FKBP1A 3129/4885LMNA 2502/4885MAPT 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.