SCHEMBL3907755

SCHEMBL3907755

COc1ccc([C@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)CN(Cc3ccccc3)C[C@@H]2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
GBA1 P04062 1/20 0.44
FUCA1 P04066 2/20 0.43
SLC18A3 Q16572 2/20 0.42
SLC6A1 P30531 2/20 0.41
SLC6A11 P48066 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH2 P25021 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL2683708 1.00 SIGMAR1 (0.44) SIGMAR1GBA1FUCA1SLC18A3SLC6A1
SCHEMBL1941545 1.00 SIGMAR1 (0.44) SIGMAR1GBA1FUCA1SLC18A3SLC6A1
SCHEMBL2684166 1.00 SIGMAR1 (0.44) SIGMAR1GBA1FUCA1SLC18A3SLC6A1
SCHEMBL1037847 0.86 GBA1 (0.39) GBA1FUCA1
SCHEMBL1039869 0.83 GBA1 (0.36) GBA1FUCA1
SCHEMBL1039871 0.83 GBA1 (0.36) GBA1FUCA1
SCHEMBL1038998 0.83 GBA1 (0.36) GBA1FUCA1
SCHEMBL1038997 0.83 GBA1 (0.36) GBA1FUCA1
SCHEMBL3904345 0.82 SLC6A11 (0.44) SLC6A1SLC6A11MEN1KMT2APAX8
SCHEMBL1037119 0.81 MMP9 (0.43) SLC6A1SLC6A11PAX8

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
US-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP disclosed
EP-1973903-A1 SUBSTITUTED 4-PHENYLPIPERIDINES Speedel Experimenta AG (CH) 2008-10-01 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO disclosed
WO-2007082907-A1 SUBSTITUTED 4-PHENYLPIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-07-26 WO disclosed
US-6673931-B2 (4-(4-(3-(2-METHOXY-BENZYLOXY)-PROPOXY)-PHENYL)-5-(4-METHOXY -NAPHTHALEN-2-YLMETHOXY)-PIPERIDIN-3-YL)-METHANOL FOR EXAMPLE; USE TREATING RESTENOSIS, GLAUCOMA, CARDIAC AND KIDNEY INSUFFICIENCY HOFFMAN-LA ROCHE INC. 2004-01-06 US disclosed
US-20020087002-A1 Naphthalenyl piperidines as renin inhibitors NOVARTIS AG (CH) 2002-07-04 US disclosed
US-6376672-B1 RESTENOSIS; VISION DEFECTS; CARDIOVASCULAR DISORDERS; KIDNEY DIEASES HOFFMANN-LA ROCHE INC. 2002-04-23 US disclosed
EP-1175400-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-30 EP disclosed
WO-2000064873-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-11-02 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 (3 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-20020087002-A1 Naphthalenyl piperidines as renin inhibitors REN, TNNI3, PTGIS SIGMAR1 4471/4885GBA1 1432/4885FUCA1 3360/4885
US-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES REN, AGTR2, ACE SIGMAR1 694/4885GBA1 2146/4885FUCA1 2845/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 SIGMAR1 187/4885GBA1 2863/4885FUCA1 3899/4885

“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.