SCHEMBL16077199

SCHEMBL16077199

N[C@](CF)(c1cccc(F)c1F)[C@H]1CC1O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
CHRM3 P20309 1/20 0.33
BACE1 P56817 1/20 0.31
CES2 O00748 1/20 0.30
BCHE P06276 1/20 0.30
CES1 P23141 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
SCHEMBL16026243 1.00 HTR2C (0.36) HTR2CHTR2BCHRM3BACE1CES2
SCHEMBL18707599 1.00 HTR2C (0.36) HTR2CHTR2BCHRM3BACE1CES2
SCHEMBL16077194 0.85 BACE1 (0.31) BACE1
SCHEMBL16077183 0.85 CHRM3 (0.32) HTR2CHTR2BCHRM3
SCHEMBL16026277 0.85 CHRM3 (0.32) HTR2CHTR2BCHRM3
SCHEMBL16026140 0.85 BACE1 (0.31) BACE1
SCHEMBL16077198 0.82 HTR2C (0.34) HTR2CHTR2BCHRM3
SCHEMBL18104111 0.75 HTR2C (0.33) HTR2CHTR2BCHRM3CES2BCHE
SCHEMBL16077219 0.75 HTR2C (0.33) HTR2CHTR2BCHRM3CES2BCHE
SCHEMBL16077142 0.73 KDM1A (0.37) BACE1

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-9611261-B2 Perfluorinated cyclopropyl fused 1,3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2017-04-04 US disclosed
US-20160280695-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2016-09-29 US disclosed
US-20150252011-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2015-09-10 US disclosed
US-9085576-B2 Perfluorinated cyclopropyl fused 1,3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2015-07-21 US disclosed
US-20140275058-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. 2014-09-18 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-20160280695-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP HTR2C 1086/4885HTR2B 821/4885CHRM3 423/4885
US-20140275058-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP HTR2C 1086/4885HTR2B 821/4885CHRM3 423/4885
US-20150252011-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP HTR2C 1086/4885HTR2B 821/4885CHRM3 423/4885

“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.