SCHEMBL3060281

SCHEMBL3060281

COC(=O)c1ccc(C2CCN(C(=O)OCc3ccccc3)CC2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
PDE4B Q07343 2/20 0.50
HTT P42858 1/20 0.50
CYP2C19 P33261 1/20 0.49
GRIN2B Q13224 5/20 0.45
USP30 Q70CQ3 1/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
KDM1A O60341 1/20 0.44
CTSK P43235 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL8315416 0.89 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL8315408 0.89 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL8315413 0.89 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL3074350 0.88 PDE4B (0.53) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL3070273 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL3068263 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL3071788 0.83 HPGD (0.44) SMN1; SMN2NPC1RAB9AHTTGRIN2B
SCHEMBL22551222 0.83 HPGD (0.44) SMN1; SMN2NPC1RAB9AHTTGRIN2B
SCHEMBL3070576 0.81 PDE4B (0.58) SMN1; SMN2NPC1RAB9APDE4BCYP2C19
SCHEMBL3071933 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APDE4BHTT

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
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 SMN1; SMN2 4291/4885NPC1 794/4885RAB9A 1066/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 SMN1; SMN2 4291/4885NPC1 794/4885RAB9A 1066/4885

“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.