SCHEMBL2922845

SCHEMBL2922845

CCOC(=O)[C@@H]1C[C@H](c2ccc(OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FKBP1A P62942 3/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL2920405 0.89 FKBP1A (0.36) ALDH1A1LMNAUSP2GAATSHR
SCHEMBL2913268 0.88 KMT2A (0.37) ALDH1A1LMNAUSP2GAATSHR
SCHEMBL2916459 0.88 FKBP1A (0.38) ALDH1A1LMNAUSP2GAATSHR
SCHEMBL2922625 0.88 FKBP1A (0.38) ALDH1A1LMNAUSP2GAATSHR
SCHEMBL2916456 0.88 FKBP1A (0.38) ALDH1A1LMNAUSP2GAATSHR
SCHEMBL2915001 0.88 FKBP1A (0.38) ALDH1A1LMNAUSP2GAATSHR
SCHEMBL5508707 0.88 FKBP1A (0.36) ALDH1A1LMNAUSP2GAATSHR
SCHEMBL2924197 0.88 FKBP1A (0.36) ALDH1A1LMNAUSP2GAATSHR
SCHEMBL5503122 0.88 NPC1 (0.39) ALDH1A1LMNAUSP2GAATSHR
SCHEMBL2920169 0.88 NPC1 (0.39) ALDH1A1LMNAUSP2GAATSHR

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 10 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-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1897879-A2 2,4,5 substituted piperidines as renin inhibitors Speedel Experimenta AG (CH) 2008-03-12 EP 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 ALDH1A1 435/4885LMNA 655/4885USP2 2670/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 ALDH1A1 222/4885LMNA 2502/4885USP2 3165/4885

“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.