SCHEMBL12891715

SCHEMBL12891715

C[C@@H]1CCCc2ccc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.41
HRH2 P25021 6/20 0.41
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
HTR2B P41595 4/20 0.37
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL12891717 1.00 HRH3 (0.41) HRH3HRH2HTR2AHTR2CHTR2B
SCHEMBL30708688 0.89 HTR2C (0.39) HRH3HRH2HTR2AHTR2CHTR2B
SCHEMBL19130936 0.89 HTR2C (0.39) HRH3HRH2HTR2AHTR2CHTR2B
SCHEMBL30002078 0.79 IRAK4 (0.37) HTR2AHTR2CHTR2BKCNH2HDAC1
SCHEMBL868218 0.79 ACHE (0.41) HTR2AHTR2CHTR2BKCNH2HDAC1
SCHEMBL10287316 0.79 ACHE (0.41) HTR2AHTR2CHTR2BKCNH2HDAC1
SCHEMBL12993345 0.79 HTR2A (0.36) HRH3HTR2AHTR2CHTR2BKCNH2
SCHEMBL2303573 0.79 IRAK4 (0.37) HTR2AHTR2CHTR2BKCNH2HDAC1
SCHEMBL29814887 0.79 ACHE (0.41) HTR2AHTR2CHTR2BKCNH2HDAC1
SCHEMBL14884980 0.79 ACHE (0.41) HTR2AHTR2CHTR2BKCNH2HDAC1

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 5 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
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP 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 HRH3 3778/4885HRH2 4192/4885HTR2A 373/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 HRH3 253/4885HRH2 238/4885HTR2A 2182/4885

“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.