SCHEMBL16042011

SCHEMBL16042011

N[C@@](c1ccccc1Cl)(C(F)F)[C@@H]1C[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.40
OPRL1 P41146 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KIF11 P52732 1/20 0.31
PDK2 Q15119 3/20 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
SCHEMBL16077217 1.00 KCNN4 (0.40) KCNN4OPRL1ALDH1A1KIF11PDK2
SCHEMBL16026291 1.00 KCNN4 (0.40) KCNN4OPRL1ALDH1A1KIF11PDK2
SCHEMBL18105223 1.00 KCNN4 (0.40) KCNN4OPRL1ALDH1A1KIF11PDK2
SCHEMBL18707708 1.00 KCNN4 (0.40) KCNN4OPRL1ALDH1A1KIF11PDK2
SCHEMBL16026298 1.00 KCNN4 (0.40) KCNN4OPRL1ALDH1A1KIF11PDK2
SCHEMBL16041878 1.00 KCNN4 (0.40) KCNN4OPRL1ALDH1A1KIF11PDK2
SCHEMBL16042008 1.00 KCNN4 (0.40) KCNN4OPRL1ALDH1A1KIF11PDK2
SCHEMBL18707709 0.78 KCNN4 (0.38) KCNN4KIF11
SCHEMBL18104111 0.76 HTR2C (0.33)
SCHEMBL16077219 0.76 HTR2C (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964644-B1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2018-12-26 EP disclosed
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 KCNN4 1694/4885OPRL1 886/4885ALDH1A1 317/4885
US-20140275058-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP KCNN4 1694/4885OPRL1 886/4885ALDH1A1 317/4885
US-20150252011-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP KCNN4 1694/4885OPRL1 886/4885ALDH1A1 317/4885

“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.