SCHEMBL1240091

SCHEMBL1240091

O=c1nccccc1Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.50
ADRA2B P18089 4/20 0.50
ADRA2C P18825 4/20 0.50
CTRC Q99895 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1A P35348 3/20 0.46
MAPK1 P28482 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
OPRM1 P35372 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
CMA1 P23946 1/20 0.46
ADRA1D P25100 2/20 0.44
ADRA1B P35368 2/20 0.44
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL29490353 0.79 CYP2C19 (0.62) ADRA2AADRA2BADRA2CCTRCCYP1A2
SCHEMBL599659 0.79 CYP2C19 (0.62) ADRA2AADRA2BADRA2CCTRCCYP1A2
SCHEMBL28911912 0.79 ADRA2A (0.53) ADRA2AADRA2BADRA2CCYP1A2CYP2C9
SCHEMBL13728466 0.78 ADRA2A (0.60) ADRA2AADRA2BADRA2CCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL28965963 0.77 ADRA2A (0.55) ADRA2AADRA2BADRA2CCYP1A2CYP2C9
SCHEMBL659517 0.77 CYP2C19 (0.60) ADRA2AADRA2BADRA2CCTRCCYP1A2
SCHEMBL659516 0.77 CYP2C19 (0.60) ADRA2AADRA2BADRA2CCTRCCYP1A2
Hydrogen Sulfide SCHEMBL11348128 0.77 CYP2C19 (0.60) ADRA2AADRA2BADRA2CCTRCCYP1A2
SCHEMBL4667060 0.77 CYP2C19 (0.60) ADRA2AADRA2BADRA2CCTRCCYP1A2
SCHEMBL11339937 0.77 CYP2C19 (0.60) ADRA2AADRA2BADRA2CCTRCCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
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-7667041-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 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
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 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 (4 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-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C ADRA2A 31/4885ADRA2B 33/4885ADRA2C 3/4885
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 ADRA2A 84/4885ADRA2B 154/4885ADRA2C 248/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 ADRA2A 74/4885ADRA2B 53/4885ADRA2C 10/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 ADRA2A 237/4885ADRA2B 426/4885ADRA2C 48/4885

“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.