SCHEMBL13819913

SCHEMBL13819913

COc1ccnc(CC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 2/20 0.43
▸ LOX P28300 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ RXRA P19793 3/20 0.35
▸ GRIN1 Q05586 3/20 0.35
▸ GRIN2B Q13224 3/20 0.35
▸ TNKS O95271 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2632841 0.80 TAAR1 (0.41) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL18994365 0.80 NUDT1 (0.35) NUDT1LOXLOXL2
SCHEMBL13819909 0.79 RIPK1 (0.47) NUDT1
SCHEMBL10332669 0.78 LOX (0.39) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL8496930 0.78 LOX (0.39) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL29442793 0.78 LOX (0.39) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL1324112 0.78 SORD (0.46) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL3511885 0.78 LOXL2 (0.52) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL13827585 0.77 PDE10A (0.43) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL21324866 0.76 NUDT1 (0.34) NUDT1

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-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2023-05-25 — — US disclosed
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2023-05-25 — — US disclosed
US-11576382-B2 Naphthalene isoxazoline compounds for controlling invertebrate pests FMC CORPORATION (US) 2023-02-14 — — US disclosed
US-20210045388-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-02-18 — — US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-9676760-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-13 — — US disclosed
US-9676760-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-13 — — US disclosed
US-9598435-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-03-21 — — US disclosed
US-9598435-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-03-21 — — US disclosed
US-20160096846-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-04-07 — — US disclosed
US-9193694-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-11-24 — — US disclosed
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-11-19 — — US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 — — US disclosed
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-05-15 — — US disclosed
US-8586732-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-11-19 — — US disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 — — US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 — — US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 — — US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — 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 (9 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-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 NUDT1 3176/4885LOX 3084/4885LOXL2 3685/4885
US-20210045388-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS RDX, RPS4X, CYP4X1 NUDT1 2482/4885LOX 2205/4885LOXL2 4162/4885
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS RDX, RPS4X, CYP4X1 NUDT1 2482/4885LOX 2205/4885LOXL2 4162/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 NUDT1 1865/4885LOX 3189/4885LOXL2 3885/4885
US-11576382-B2 Naphthalene isoxazoline compounds for controlling invertebrate pests RDX, RPS4X, CYP4X1 NUDT1 2482/4885LOX 2205/4885LOXL2 4162/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 NUDT1 3176/4885LOX 3084/4885LOXL2 3685/4885
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 NUDT1 3176/4885LOX 3084/4885LOXL2 3685/4885
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 NUDT1 1865/4885LOX 3189/4885LOXL2 3885/4885
US-20160096846-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 NUDT1 3176/4885LOX 3084/4885LOXL2 3685/4885

“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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