SCHEMBL1617565

SCHEMBL1617565

CN(C)/C=C1\CCCC(C2CCCCC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
MAPT P10636 7/20 0.42
RAB9A P51151 6/20 0.42
KMT2A Q03164 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
CREBBP Q92793 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 4/20 0.37

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
SCHEMBL18707164 0.84 NPC1 (0.45) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL18707167 0.84 NPC1 (0.45) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL1617390 0.75 MAPT (0.35) NPC1MAPTRAB9AKMT2AHPGD
SCHEMBL1617387 0.75 MAPT (0.35) NPC1MAPTRAB9AKMT2AHPGD
SCHEMBL1616963 0.72 LMNA (0.32) MAPTLMNACYP2C9ALOX15CYP2C19
Trimethylammonium SCHEMBL28008629 0.70 CA1 (0.41) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL1617057 0.69 AKR1C3 (0.38) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1617059 0.69 AKR1C3 (0.38) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9047504 0.69 MAPT (0.82) NPC1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL9047510 0.69 MAPT (0.82) NPC1MAPTRAB9AKMT2ASMN1; SMN2

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 NPC1 1000/4885MAPT 26/4885RAB9A 3024/4885

“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.