SCHEMBL1617059

SCHEMBL1617059

CCOC1CCCC(=CN(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
PDE9A O76083 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1617057 1.00 AKR1C3 (0.38) AKR1C3AKR1C1PDE9ANPC1ALDH1A1
SCHEMBL3660203 0.92 AKR1C3 (0.33) AKR1C3AKR1C1
SCHEMBL28386921 0.74 AKR1C3 (0.41) AKR1C3AKR1C1PDE9A
SCHEMBL1616943 0.74 ALDH1A1 (0.40) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1616945 0.74 ALDH1A1 (0.40) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1617331 0.74 STAT3 (0.31)
SCHEMBL1616161 0.72 MAPT (0.37) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1617387 0.71 MAPT (0.35) NPC1ALDH1A1MAPTRAB9A
SCHEMBL1617390 0.71 MAPT (0.35) NPC1ALDH1A1MAPTRAB9A
SCHEMBL30809938 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 AKR1C3 1824/4885AKR1C1 2167/4885PDE9A 1347/4885

“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.