SCHEMBL3413340

SCHEMBL3413340

CN(C)C(=O)C=Cc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
NPC1 O15118 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAOB P27338 7/20 0.53
MAOA P21397 3/20 0.53
HDAC2 Q92769 1/20 0.51
CXCL12 P48061 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
MDM2 Q00987 1/20 0.48

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
SCHEMBL11217696 0.90 HSD17B3 (0.55) CYP1A2NPC1ALDH1A1LMNAMAPT
SCHEMBL3409990 0.87 LMNA (0.50) CYP1A2NPC1ALDH1A1LMNAMAPT
SCHEMBL5677328 0.85 RAB9A (0.58) CYP1A2NPC1ALDH1A1LMNAMAPT
SCHEMBL5677325 0.85 RAB9A (0.58) CYP1A2NPC1ALDH1A1LMNAMAPT
SCHEMBL7720768 0.84 NPC1 (0.56) CYP1A2NPC1ALDH1A1LMNAMAPT
SCHEMBL7720766 0.84 NPC1 (0.56) CYP1A2NPC1ALDH1A1LMNAMAPT
SCHEMBL10716746 0.82 TYR (0.61) MAPTRAB9AMAOBMAOAHDAC2
SCHEMBL28375640 0.82 TRPM8 (0.49) NPC1ALDH1A1LMNAMAPTHTT
SCHEMBL10716741 0.82 TYR (0.61) MAPTRAB9AMAOBMAOAHDAC2
SCHEMBL9720425 0.81 MEN1 (0.49) NPC1ALDH1A1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018735-B Preparation method of cinnamamide compound 河南农业大学 2021-09-07 CN disclosed
CN-111018735-A Preparation method of cinnamamide 河南农业大学 2020-04-17 CN disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB CYP1A2 4120/4885NPC1 437/4885ALDH1A1 2956/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB CYP1A2 4006/4885NPC1 440/4885ALDH1A1 2860/4885

“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.