SCHEMBL3068263

SCHEMBL3068263

O=C(OCc1ccccc1)N1CCC(c2ccc(Oc3ccccc3)cc2)C(O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CYP2C19 P33261 1/20 0.51
PDE4B Q07343 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRIN2B Q13224 5/20 0.44
HTT P42858 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HTR2C P28335 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
KDM1A O60341 2/20 0.43
RCOR1 Q9UKL0 1/20 0.43

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
SCHEMBL8315408 0.91 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL8315413 0.91 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL8315416 0.91 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL3074350 0.90 PDE4B (0.53) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL3070273 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL3070298 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL3071933 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL3079319 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL3060281 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL16897790 0.82 LMNA (0.48) SMN1; SMN2NPC1RAB9AHTTADORA3

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.