SCHEMBL2797964

SCHEMBL2797964

C=CCCC(F)c1cccc(I)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
KCNH2 Q12809 2/20 0.30
TACR1 P25103 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
SCHEMBL3455735 0.80 IDO1 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3455734 0.80 IDO1 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7752784 0.80 IDO1 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2795153 0.80 SLC6A3 (0.35) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4633729 0.78 CYP2C19 (0.40)
SCHEMBL4633732 0.78 CYP2C19 (0.40)
SCHEMBL27264696 0.75 CYP2C19 (0.47)
SCHEMBL27266319 0.71 SLC6A3 (0.43) SLC6A3
SCHEMBL3154897 0.69 NOTUM (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL14465268 0.69 CYP2C19 (0.40) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase WYETH LLC (US) 2010-07-01 US disclosed
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase WYETH LLC (US) 2010-07-01 US disclosed
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase WYETH LLC (US) 2010-07-01 US disclosed
US-7723368-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH LLC (US) 2010-05-25 US disclosed
US-7723368-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH LLC (US) 2010-05-25 US disclosed
US-7723368-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH LLC (US) 2010-05-25 US disclosed
EP-2144884-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
US-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-02-19 US disclosed
US-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-02-19 US disclosed
US-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-02-19 US disclosed
WO-2008118379-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF β-SECRETASE WYETH (US) 2008-10-02 WO disclosed
WO-2008118379-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF β-SECRETASE WYETH (US) 2008-10-02 WO 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-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP CYP3A4 4063/4885CYP2D6 4761/4885SLC6A2 2915/4885
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase BACE1, BACE2, APP CYP3A4 4063/4885CYP2D6 4761/4885SLC6A2 2915/4885

“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.