SCHEMBL3943583

SCHEMBL3943583

COCCCCOc1ccc([C@@H]2[C@@H](O)CN(C(=O)O)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
GPR88 Q9GZN0 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
RARB P10826 1/20 0.33
ACACB O00763 1/20 0.33
USP30 Q70CQ3 1/20 0.33
S1PR1 P21453 7/20 0.33
S1PR5 Q9H228 6/20 0.33
KMT2A Q03164 5/20 0.32
S1PR3 Q99500 4/20 0.32
MEN1 O00255 3/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 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
SCHEMBL3914447 0.98 ACACB (0.35) KDM4EGPR88TDP1SMN1; SMN2RARB
SCHEMBL3912300 0.88 KDM4E (0.30) KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL1037741 0.87 NPC1 (0.39) KDM4ESMN1; SMN2KMT2AMEN1NPC1
SCHEMBL3905395 0.87 PAX8 (0.36) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL2682844 0.84 GAA (0.41) SMN1; SMN2ACACBKMT2AMEN1NPC1
SCHEMBL3948391 0.83 REN (0.44)
SCHEMBL2684607 0.82
SCHEMBL2684431 0.81 TSHR (0.36) KDM4ESMN1; SMN2KMT2AMEN1NPC1
SCHEMBL5281026 0.81 TSHR (0.36) KDM4ESMN1; SMN2KMT2AMEN1NPC1
SCHEMBL3912312 0.80

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 3 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
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 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 (1 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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 KDM4E 2131/4885GPR88 2486/4885TDP1 1420/4885

“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.