SCHEMBL1797381

SCHEMBL1797381

CC(=O)Cc1ccc(F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
POLB P06746 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL3113086 0.82 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23374458 0.81 CA2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20425110 0.80 RAB9A (0.51) ALDH1A1MMP2MMP9MMP8MMP13
SCHEMBL117104 0.80 MTNR1A (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13333432 0.78 P4HTM (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15066867 0.78 P4HTM (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10123136 0.78 TSHR (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13727865 0.77 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12764890 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL1134907 0.77 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 US disclosed
US-8633315-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-01-21 US disclosed
EP-2167471-B1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-10-16 EP disclosed
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-20130072483-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2013-03-21 US disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US disclosed
US-8173810-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-05-08 US disclosed
US-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-7951838-B2 Substituted spirocyclic chromanamine compounds as Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-05-31 US disclosed
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 US disclosed
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-16 US disclosed
US-7803809-B2 Substituted pyrano [2,3-b] pyridinamine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2010-09-28 US disclosed
US-20100120774-A1 Substituted Pyrano [2,3-b] Pyridinamine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2010-05-13 US disclosed
EP-2167471-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2010-03-31 EP disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US disclosed
WO-2009064418-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-05-22 WO disclosed
WO-2009035855-A2 NOVEL USES OF HALOGENATED ALKYL SULFONAMIDES H. LUNDBECK A/S (DK) 2009-03-19 WO disclosed
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-02-05 US disclosed
WO-2008147544-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed
WO-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO 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 (8 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-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 GABRP 2670/4885GABRD 4416/4885GABRA1 2798/4885
US-20100120774-A1 Substituted Pyrano [2,3-b] Pyridinamine compounds as beta-secretase modulators and methods of use BACE1, APP, BACE2 GABRP 647/4885GABRD 2002/4885GABRA1 1496/4885
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP GABRP 1629/4885GABRD 2533/4885GABRA1 1996/4885
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 GABRP 647/4885GABRD 2002/4885GABRA1 1496/4885
US-20090036478-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP GABRP 1638/4885GABRD 2706/4885GABRA1 1401/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP GABRP 1212/4885GABRD 2268/4885GABRA1 1676/4885
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE ARGLU1, ARG1, CNKSR1 GABRP 1871/4885GABRD 1972/4885GABRA1 1284/4885
US-20130072483-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP GABRP 1638/4885GABRD 2706/4885GABRA1 1401/4885

“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.