SCHEMBL3070875

SCHEMBL3070875

CCOCc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.37
REN P00797 8/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MMP9 P14780 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAM9 Q13443 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3068647 0.94 PDE4B (0.38) PDE4BRENSMN1; SMN2NPC1RAB9A
SCHEMBL3072781 0.93 PDE4B (0.38) PDE4BRENSMN1; SMN2NPC1RAB9A
SCHEMBL3072342 0.93 CHRNB2 (0.39) PDE4BRENSMN1; SMN2NPC1RAB9A
SCHEMBL3071923 0.93 PDE4B (0.37) PDE4BRENSMN1; SMN2NPC1RAB9A
SCHEMBL3061482 0.93 PDE4B (0.37) PDE4BRENSMN1; SMN2NPC1RAB9A
SCHEMBL3072664 0.93 GRM5 (0.40) PDE4BRENSMN1; SMN2NPC1RAB9A
SCHEMBL3072222 0.93 PDE4B (0.37) PDE4BRENSMN1; SMN2NPC1RAB9A
SCHEMBL3070416 0.92 PDE4B (0.37) PDE4BRENSMN1; SMN2NPC1RAB9A
SCHEMBL3073944 0.92 REN (0.35) PDE4BRENSMN1; SMN2NPC1RAB9A
SCHEMBL3071666 0.92 SMN1; SMN2 (0.37) PDE4BRENSMN1; SMN2NPC1RAB9A

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 PDE4B 312/4885REN 1/4885SMN1; SMN2 4291/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885REN 1/4885SMN1; SMN2 4291/4885

“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.