SCHEMBL16077142

SCHEMBL16077142

N[C@](CF)(c1cc(Br)ccc1F)[C@H]1CC1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.37
KDM1B Q8NB78 1/20 0.36
DGAT1 O75907 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PNMT P11086 1/20 0.31

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
SCHEMBL16077158 0.84 KDM1A (0.36) KDM1APNMT
SCHEMBL16026258 0.83 KDM1A (0.34) KDM1AKDM1BBACE1
SCHEMBL16077229 0.83 KDM1A (0.34) KDM1AKDM1BBACE1
SCHEMBL16077173 0.79 KDM1A (0.39) KDM1AKDM1BDGAT1CTSDBACE1
SCHEMBL16077176 0.79 KDM1A (0.39) KDM1AKDM1BDGAT1CTSDBACE1
SCHEMBL16040881 0.79 KDM1A (0.39) KDM1AKDM1BDGAT1CTSDBACE1
SCHEMBL16077246 0.79 KDM1A (0.42) KDM1AKDM1BDGAT1CTSDBACE1
SCHEMBL18104112 0.79 KDM1A (0.42) KDM1AKDM1BDGAT1CTSDBACE1
SCHEMBL16026211 0.79 KDM1A (0.39) KDM1AKDM1BDGAT1CTSDBACE1
SCHEMBL16026099 0.77 CTSD (0.31) CTSDBACE1

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 KDM1A 2098/4885KDM1B 2179/4885DGAT1 1594/4885
US-20140275058-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP KDM1A 2098/4885KDM1B 2179/4885DGAT1 1594/4885
US-20150252011-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP KDM1A 2098/4885KDM1B 2179/4885DGAT1 1594/4885

“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.