SCHEMBL17583157

SCHEMBL17583157

OCC(F)(F)c1ccc(OC(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ SCN10A Q9Y5Y9 3/20 0.34

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
SCHEMBL20271668 0.83 GRIN2B (0.40) GRIN2BL3MBTL1NPC1RAB9ASCN9A
SCHEMBL17583192 0.80 GRIN2B (0.42) GRIN2BNPC1RAB9ASCN9AMRGPRX4
SCHEMBL20470885 0.77 SCN10A (0.42) L3MBTL1NPC1RAB9ASCN9ASLC7A5
SCHEMBL20406281 0.76 MRGPRX4 (0.54) L3MBTL1RAB9AMAOBMRGPRX4MAPT
SCHEMBL10415286 0.75 ABL1 (0.42) L3MBTL1NPC1RAB9ASLC7A5MAOB
SCHEMBL21794183 0.75 SCN10A (0.42) GRIN2BL3MBTL1SCN9ASLC7A5CFTR
SCHEMBL17583207 0.74 KDM5B (0.36) GRIN2BKCNH2
SCHEMBL17583146 0.74 CA2 (0.38) GRIN2BSLC7A5ABL1
SCHEMBL17583202 0.74 GRIN2B (0.39) GRIN2BSCN9AKCNH2SCN10A
SCHEMBL3892170 0.73 CCR1 (0.40) GRIN2BL3MBTL1RAB9AMAPTKCNH2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548903-B2 Bicyclic thiazine and oxazine derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2023-01-10 — — US disclosed
US-11548903-B2 Bicyclic thiazine and oxazine derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2023-01-10 — — US disclosed
EP-3555106-B1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2022-03-09 — — EP disclosed
US-11021493-B2 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2021-06-01 — — US disclosed
US-11021493-B2 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2021-06-01 — — US disclosed
US-20200231601-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-07-23 — — US disclosed
US-20200231601-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-07-23 — — US disclosed
US-20200199153-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-06-25 — — US disclosed
US-20200199153-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-06-25 — — US disclosed
EP-3555106-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2019-10-23 — — EP disclosed
EP-3194403-B1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2019-02-06 — — EP disclosed
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-10-25 — — US disclosed
WO-2018112084-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-06-21 — — WO disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 — — US disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 — — US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 — — US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 — — US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 — — US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 — — US disclosed
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-17 — — 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 (7 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-20200199153-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP GRIN2B 160/4885L3MBTL1 3021/4885NPC1 716/4885
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B GRIN2B 3/4885L3MBTL1 3820/4885NPC1 3366/4885
US-20200231601-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP GRIN2B 717/4885L3MBTL1 2690/4885NPC1 1120/4885
US-11021493-B2 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use BACE1, BACE2, APP GRIN2B 717/4885L3MBTL1 2690/4885NPC1 1120/4885
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B GRIN2B 3/4885L3MBTL1 3820/4885NPC1 3366/4885
US-11548903-B2 Bicyclic thiazine and oxazine derivatives as beta-secretase inhibitors and methods of use BACE1, BACE2, APP GRIN2B 160/4885L3MBTL1 3021/4885NPC1 716/4885
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B GRIN2B 3/4885L3MBTL1 3820/4885NPC1 3366/4885

“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.

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