SCHEMBL2820186

SCHEMBL2820186

NCC1Cc2ccccc2C1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.46
HTR2C P28335 10/20 0.46
HRH1 P35367 2/20 0.46
RET P07949 1/20 0.46
HTR2B P41595 9/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM1A O60341 4/20 0.39

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
SCHEMBL2820183 1.00 HTR2A (0.46) HTR2AHTR2CHRH1RETHTR2B
SCHEMBL32686720 0.81 MAOB (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL2214776 0.77 HTR2A (0.46) HTR2AHTR2CHRH1RETHTR2B
SCHEMBL10249749 0.74 HTR2C (0.43) HTR2AHTR2CHRH1RETHTR2B
SCHEMBL2824969 0.74 KDM1A (0.47) HTR2AKDM1A
SCHEMBL2824963 0.74 KDM1A (0.47) HTR2AKDM1A
SCHEMBL2823241 0.73 HTR2A (0.46) HTR2AHTR2CHRH1RETSLC6A2
SCHEMBL1239826 0.73 HTR2A (0.46) HTR2AHTR2CHRH1RETSLC6A2
SCHEMBL14293861 0.73 HTR2A (0.42) HTR2AHTR2CHRH1RETHTR2B
SCHEMBL16242534 0.73 MAOB (0.47) HTR2AKDM1A

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
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-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
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP 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 (3 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 HTR2A 373/4885HTR2C 1371/4885HRH1 3195/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 HTR2A 2182/4885HTR2C 901/4885HRH1 181/4885
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 HTR2A 408/4885HTR2C 298/4885HRH1 2368/4885

“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.