SCHEMBL1617477

SCHEMBL1617477

O=C1CCCCC1(O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
P2RX7 Q99572 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PKM P14618 1/20 0.38
CNR2 P34972 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
SLC6A9 P48067 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL7875370 0.80 AKR1C1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10489527 0.78 HDAC4 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL24815325 0.76 GRIN1 (0.50) ALDH1A1LMNAPOLBP2RX7OPRM1
SCHEMBL23595693 0.76 GRIN1 (0.50) ALDH1A1LMNAPOLBP2RX7OPRM1
SCHEMBL9657169 0.76 P2RX7 (0.36) ALDH1A1LMNAPOLBP2RX7MEN1
SCHEMBL7308988 0.74 CYP2C9 (0.44) ALDH1A1MEN1KMT2AOPRM1OPRL1
SCHEMBL23722370 0.74 ALDH1A1 (0.55) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL9657165 0.74 P2RX7 (0.37) ALDH1A1LMNAPOLBP2RX7MEN1
SCHEMBL9616977 0.73 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL9372889 0.73 P2RX7 (0.38) ALDH1A1LMNAPOLBP2RX7OPRM1

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 ALDH1A1 3574/4885LMNA 959/4885POLB 2055/4885

“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.