SCHEMBL2924103

SCHEMBL2924103

COCCCN1C(=O)COc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](CSCc4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
REN P00797 2/20 0.38
CYP3A4 P08684 1/20 0.38
SMPD1 P17405 1/20 0.37
POLB P06746 3/20 0.35
TP53 P04637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 2/20 0.35
LMNA P02545 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 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
SCHEMBL2916072 0.85 MAPT (0.37) MAPTRENCYP3A4SMPD1POLB
SCHEMBL2918868 0.85 MAPT (0.40) MAPTRENCYP3A4SMPD1POLB
SCHEMBL1036302 0.80 TSHR (0.37) MAPTRENPOLBTP53TSHR
SCHEMBL5510100 0.80 LMNA (0.37) MAPTRENPOLBLMNAMMP1
SCHEMBL2913954 0.80 LMNA (0.37) MAPTRENPOLBLMNAMMP1
SCHEMBL2924022 0.79 LMNA (0.38) MAPTRENPOLBLMNAMMP1
SCHEMBL2922334 0.79 NPC1 (0.35) MAPTRENCYP3A4POLBTP53
SCHEMBL2919070 0.79 CASP3 (0.39) MAPTRENPOLBLMNAMMP1
SCHEMBL2925527 0.78 FKBP1A (0.38) MAPTPOLBL3MBTL1LMNAMMP1
SCHEMBL2920405 0.78 FKBP1A (0.36) MAPTCYP3A4TSHRLMNA

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 MAPT 3109/4885REN 1/4885CYP3A4 466/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 MAPT 4219/4885REN 1/4885CYP3A4 148/4885

“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.