SCHEMBL1039869

SCHEMBL1039869

COC[C@H](C)COCc1ccc([C@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)CN(Cc3ccccc3)C[C@@H]2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
FUCA1 P04066 2/20 0.35
S1PR5 Q9H228 3/20 0.34
SPHK2 Q9NRA0 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
MTAP Q13126 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
S1PR1 P21453 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
SCHEMBL1038997 1.00 GBA1 (0.36) GBA1FUCA1S1PR5SPHK2SPHK1
SCHEMBL1038998 1.00 GBA1 (0.36) GBA1FUCA1S1PR5SPHK2SPHK1
SCHEMBL1039871 1.00 GBA1 (0.36) GBA1FUCA1S1PR5SPHK2SPHK1
SCHEMBL1037847 0.90 GBA1 (0.39) GBA1FUCA1S1PR5SPHK2SPHK1
SCHEMBL4583013 0.86 SLC6A1 (0.32)
SCHEMBL3874324 0.85 RORC (0.35) NPC1RAB9A
SCHEMBL3874317 0.85 RORC (0.35) NPC1RAB9A
SCHEMBL2683708 0.83 SIGMAR1 (0.44) GBA1FUCA1
SCHEMBL3907755 0.83 SIGMAR1 (0.44) GBA1FUCA1
SCHEMBL1941545 0.83 SIGMAR1 (0.44) GBA1FUCA1

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-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
US-7625893-B2 Substituted 4-phenyl piperidines for use as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-12-01 US disclosed
US-20090088426-A1 Substituted 4-Phenyl Piperidines for Use as Renin Inhibitors SPEEDEL EXPERIMENTA AG 2009-04-02 US disclosed
EP-1934207-B1 SUBSTITUTED 4-PHENYL PIPERIDINES FOR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2009-03-11 EP disclosed
EP-1911758-A1 Phenyl piperidine derivatives for use as renin inhibitors Speedel Experimenta AG (CH) 2008-04-16 EP 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

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-20090088426-A1 Substituted 4-Phenyl Piperidines for Use as Renin Inhibitors REN, AGTR1, ACE GBA1 544/4885FUCA1 1601/4885S1PR5 293/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 GBA1 2863/4885FUCA1 3899/4885S1PR5 565/4885

“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.