SCHEMBL1239660

SCHEMBL1239660

OC1(c2ccc(F)cc2)CCCCNC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
SLC6A3 Q01959 6/20 0.39
HSD11B1 P28845 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 4/20 0.38
CYP2D6 P10635 1/20 0.38
RORC P51449 3/20 0.36
NR1I2 O75469 2/20 0.36
NR1H3 Q13133 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 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
SCHEMBL1239489 0.95 DRD2 (0.41) DRD2SLC6A3HSD11B1OPRM1OPRD1
SCHEMBL3549471 0.87 DRD2 (0.52) DRD2SLC6A3OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL2276550 0.86 DRD2 (0.50) DRD2SLC6A3OPRM1OPRD1OPRK1
Tert-Butyl Formate SCHEMBL27677937 0.84 RORC (0.33) SLC6A3HSD11B1SLC6A2RORCNR1I2
SCHEMBL6154699 0.81 OPRM1 (0.50) DRD2SLC6A3HSD11B1OPRM1OPRD1
SCHEMBL31322237 0.81 DRD2 (0.58) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL11648759 0.79 SLC6A3 (0.52) DRD2SLC6A3HSD11B1OPRM1OPRD1
SCHEMBL4018826 0.79 DRD2 (0.44) DRD2SLC6A3HSD11B1OPRM1OPRD1
Hydrochloric Acid SCHEMBL6367289 0.77 DRD2 (0.42) DRD2SLC6A3HSD11B1OPRM1OPRD1
SCHEMBL8751549 0.77 OPRM1 (0.41) DRD2SLC6A3OPRM1OPRD1OPRK1

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 9 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
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 (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 DRD2 144/4885SLC6A3 678/4885HSD11B1 117/4885
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 DRD2 2277/4885SLC6A3 3600/4885HSD11B1 415/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 DRD2 489/4885SLC6A3 1776/4885HSD11B1 524/4885
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 DRD2 436/4885SLC6A3 2069/4885HSD11B1 1301/4885

“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.