SCHEMBL2924072

SCHEMBL2924072

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.36
RORC P51449 7/20 0.36
CYP2C9 P11712 1/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL2916456 0.93 FKBP1A (0.38) FKBP1ARORCCYP2C9LMNAALDH1A1
SCHEMBL2915001 0.93 FKBP1A (0.38) FKBP1ARORCCYP2C9LMNAALDH1A1
SCHEMBL2922625 0.93 FKBP1A (0.38) FKBP1ARORCCYP2C9LMNAALDH1A1
SCHEMBL2916459 0.93 FKBP1A (0.38) FKBP1ARORCCYP2C9LMNAALDH1A1
SCHEMBL2920169 0.93 NPC1 (0.39) FKBP1ARORCCYP2C9LMNAALDH1A1
SCHEMBL5503122 0.93 NPC1 (0.39) FKBP1ARORCCYP2C9LMNAALDH1A1
SCHEMBL2919792 0.92 FKBP1A (0.37) FKBP1ARORCCYP2C9LMNAALDH1A1
SCHEMBL2913268 0.92 KMT2A (0.37) FKBP1ARORCCYP2C9LMNAALDH1A1
SCHEMBL2919069 0.92 RORC (0.36) FKBP1ARORCCYP2C9LMNAALDH1A1
SCHEMBL2919684 0.92 RORC (0.36) FKBP1ARORCCYP2C9LMNAALDH1A1

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 8 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-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 FKBP1A 3930/4885RORC 4757/4885CYP2C9 3835/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 FKBP1A 3129/4885RORC 2727/4885CYP2C9 171/4885

“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.