SCHEMBL14353276

SCHEMBL14353276

CC(C)(C)OC(=O)NCc1ccc(-c2ccnc(OC(C)(C)C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ AAK1 Q2M2I8 1/20 0.46
▸ NAMPT P43490 2/20 0.46
▸ AKT1 P31749 1/20 0.45
▸ CYP17A1 P05093 1/20 0.44
▸ HPN P05981 1/20 0.43
▸ SDCBP O00560 1/20 0.43
▸ SDC2 P34741 1/20 0.43
▸ GRM2 Q14416 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SLC13A5 Q86YT5 1/20 0.41
▸ PPID Q08752 1/20 0.40
▸ BRD4 O60885 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
SCHEMBL15729229 0.85 HDAC1 (0.52) HDAC1L3MBTL1AAK1NAMPTAKT1
SCHEMBL506891 0.82 CYP17A1 (0.61) HDAC1L3MBTL1NAMPTAKT1CYP17A1
SCHEMBL14352914 0.80 ALDH2 (0.57) —
SCHEMBL14352861 0.78 ALDH2 (0.56) —
SCHEMBL3180689 0.77 L3MBTL1 (0.61) HDAC1L3MBTL1NAMPTSDCBPSDC2
SCHEMBL2567630 0.76 HDAC1 (0.57) HDAC1L3MBTL1NAMPTCYP17A1HPN
SCHEMBL14477706 0.76 SLC13A5 (0.41) AAK1MAPTSLC13A5
SCHEMBL1691047 0.76 HDAC1 (0.67) HDAC1L3MBTL1NAMPTSDCBPSDC2
SCHEMBL31717419 0.76 HDAC1 (0.51) HDAC1L3MBTL1NAMPTGRM2MAPT
SCHEMBL10165065 0.76 LOX (0.48) L3MBTL1AAK1NAMPTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180338989-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2018-11-29 — — US disclosed
US-9987295-B2 Compounds for the treatment of addiction AMYGDALA NEUROSCIENCES, INC. (US) 2018-06-05 — — US disclosed
US-9987295-B2 Compounds for the treatment of addiction AMYGDALA NEUROSCIENCES, INC. (US) 2018-06-05 — — US disclosed
EP-2993170-B1 N-[4-(2-OXO-1,2-DIHYDRO-PYRIDIN-4-YL)-BENZYL]-BENZAMIDE DERIVATIVES AS ALDH-2 INHIBITORS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES INC (US) 2017-10-25 — — EP disclosed
EP-2993170-B1 N-[4-(2-OXO-1,2-DIHYDRO-PYRIDIN-4-YL)-BENZYL]-BENZAMIDE DERIVATIVES AS ALDH-2 INHIBITORS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES INC (US) 2017-10-25 — — EP disclosed
US-20170266210-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2017-09-21 — — US disclosed
US-20170266210-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2017-09-21 — — US disclosed
US-9610299-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2017-04-04 — — US disclosed
US-9610299-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2017-04-04 — — US disclosed
EP-2993170-A1 N-[4-(2-OXO-1,2-DIHYDRO-PYRIDIN-4-YL)-BENZYL]-BENZAMIDE DERIVATIVES AS ALDH-2 INHIBITORS FOR THE TREATMENT OF ADDICTION Gilead Sciences, Inc. (US) 2016-03-09 — — EP disclosed
US-20140051668-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-20140051668-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-8575353-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-8575353-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-8558001-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2013-10-15 — — US disclosed
US-8558001-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2013-10-15 — — US disclosed
US-20130203704-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130203704-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
WO-2013006400-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO disclosed
US-20130005689-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-01-03 — — 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 (5 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-20180338989-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 HDAC1 160/4885L3MBTL1 3214/4885AAK1 1414/4885
US-20130203704-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 HDAC1 160/4885L3MBTL1 3214/4885AAK1 1414/4885
US-20140051668-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 HDAC1 160/4885L3MBTL1 3214/4885AAK1 1414/4885
US-20130005689-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 HDAC1 160/4885L3MBTL1 3214/4885AAK1 1414/4885
US-20170266210-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 HDAC1 160/4885L3MBTL1 3214/4885AAK1 1414/4885

“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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