SCHEMBL1616933

SCHEMBL1616933

CN(C)C=C1CCCC(c2ccc(Cl)cc2Cl)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
TP53 P04637 3/20 0.38
MAP1LC3B Q9GZQ8 2/20 0.36
TSHR P16473 1/20 0.36
AGTR1 P30556 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PBRM1 Q86U86 1/20 0.35
CRHR1 P34998 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1616932 1.00 GAA (0.39) GAATP53MAP1LC3BTSHRAGTR1
SCHEMBL1617075 0.86 MAP1LC3B (0.36) GAATP53MAP1LC3BTSHRNPC1
SCHEMBL1617077 0.86 MAP1LC3B (0.36) GAATP53MAP1LC3BTSHRNPC1
SCHEMBL1617177 0.81 MAP1LC3B (0.47) MAP1LC3BNPC1RAB9ASMN1; SMN2PBRM1
SCHEMBL1617176 0.81 MAP1LC3B (0.47) MAP1LC3BNPC1RAB9ASMN1; SMN2PBRM1
SCHEMBL1615801 0.78 SLC6A2 (0.42) SMN1; SMN2
SCHEMBL1615803 0.78 SLC6A2 (0.42) SMN1; SMN2
SCHEMBL1617137 0.72 MAP1LC3B (0.44) TP53MAP1LC3BTSHRSMN1; SMN2ALDH1A1
SCHEMBL1617107 0.71 HTR2A (0.40) SMN1; SMN2ALDH1A1HTT
SCHEMBL1616878 0.70 MAP1LC3B (0.47) GAAMAP1LC3BNPC1ALDH1A1

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 GAA 962/4885TP53 1297/4885MAP1LC3B 818/4885

“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.