SCHEMBL16077219

SCHEMBL16077219

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRM3 P20309 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
SCHEMBL18104111 1.00 HTR2C (0.33) HTR2CHTR2BSLC6A2SLC6A4SLC6A3
SCHEMBL16026229 0.85 CHRM3 (0.42) CHRM3
SCHEMBL16011637 0.85 CHRM3 (0.42) CHRM3
SCHEMBL20590945 0.85 CHRM3 (0.42) CHRM3
SCHEMBL18707802 0.85 CHRM3 (0.42) CHRM3
SCHEMBL18105223 0.76 KCNN4 (0.40)
SCHEMBL16042008 0.76 KCNN4 (0.40)
SCHEMBL16042011 0.76 KCNN4 (0.40)
SCHEMBL16026298 0.76 KCNN4 (0.40)
SCHEMBL18707708 0.76 KCNN4 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 821/4885SLC6A2 2669/4885
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 821/4885SLC6A2 2669/4885

“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.