SCHEMBL12891722

SCHEMBL12891722

C[C@@H]1CCCc2nc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
HRH3 Q9Y5N1 6/20 0.35
HRH2 P25021 4/20 0.35
GRM5 P41594 3/20 0.33
KLKB1 P03952 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12891724 1.00 CHRNB2 (0.38) CHRNB2CHRNA4HRH3HRH2GRM5
SCHEMBL31247610 0.80 CHRNB2 (0.39) CHRNB2CHRNA4GRM5KLKB1MEN1
SCHEMBL14614714 0.79 CHRNB2 (0.38) CHRNB2CHRNA4GRM5KLKB1MEN1
SCHEMBL29364445 0.79 CHRNB2 (0.38) CHRNB2CHRNA4GRM5KLKB1MEN1
SCHEMBL14614599 0.79 CHRNB2 (0.38) CHRNB2CHRNA4GRM5KLKB1MEN1
SCHEMBL868299 0.79 GRM5 (0.52) CHRNB2CHRNA4GRM5
SCHEMBL18795872 0.79 CHRNB2 (0.38) CHRNB2CHRNA4GRM5KLKB1MEN1
SCHEMBL19285183 0.78 CHRNB2 (0.35) CHRNB2CHRNA4GRM5KLKB1
SCHEMBL868367 0.78 AKR1C3 (0.41) CHRNB2CHRNA4GRM5KLKB1
SCHEMBL12891719 0.76 DRD2 (0.40) HRH3HRH2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 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 (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-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 CHRNB2 78/4885CHRNA4 466/4885HRH3 3778/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 CHRNB2 2489/4885CHRNA4 1815/4885HRH3 253/4885

“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.