SCHEMBL3662555

SCHEMBL3662555

CN1CCN(CCOC(=O)N2CCc3ccccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ALDH1A1 P00352 3/20 0.54
NOTUM Q6P988 3/20 0.52
TSHR P16473 2/20 0.51
HRH3 Q9Y5N1 2/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
BCHE P06276 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47

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
SCHEMBL3721043 0.92 NOTUM (0.55) NPC1RAB9AL3MBTL1ALDH1A1NOTUM
Hydrochloric Acid SCHEMBL7423344 0.88 NPC1 (0.59) NPC1RAB9AL3MBTL1ALDH1A1NOTUM
SCHEMBL2116912 0.82 NPC1 (0.71) NPC1RAB9AL3MBTL1ALDH1A1NOTUM
SCHEMBL29554766 0.82 NPC1 (0.71) NPC1RAB9AL3MBTL1ALDH1A1NOTUM
SCHEMBL5797625 0.81 RAB9A (0.63) NPC1RAB9AL3MBTL1ALDH1A1NOTUM
SCHEMBL299090 0.81 NPC1 (0.66) NPC1RAB9AL3MBTL1ALDH1A1NOTUM
SCHEMBL9526349 0.81 NPC1 (0.66) NPC1RAB9AL3MBTL1ALDH1A1NOTUM
SCHEMBL3721168 0.79 PRMT5 (0.56) ALDH1A1NOTUMTSHRHRH3POLB
SCHEMBL27882103 0.79 NPC1 (0.71) NPC1RAB9AL3MBTL1ALDH1A1NOTUM
SCHEMBL30681385 0.78 RAB9A (0.66) NPC1RAB9AL3MBTL1ALDH1A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026993-A New compounds III BIOVITRUM AB PUBL 2011-04-20 CN claimed
EP-2227461-A1 NEW COMPOUNDS III AstraZeneca AB (Publ) (SE) 2010-09-15 EP claimed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US claimed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO claimed
CN-102026993-A New compounds III BIOVITRUM AB PUBL 2011-04-20 CN disclosed
EP-2227461-A1 NEW COMPOUNDS III AstraZeneca AB (Publ) (SE) 2010-09-15 EP disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
EP-2066661-A2 PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-06-10 EP disclosed
WO-2008035316-A2 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-03-27 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-20090176798-A1 New compounds III GPR119, FABP4, GLP1R NPC1 702/4885RAB9A 4294/4885L3MBTL1 4694/4885

“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.