SCHEMBL2089924

SCHEMBL2089924

FC(F)(F)Oc1ccc(CN2CC[N]CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ BCHE P06276 3/20 0.53
▸ ACHE P22303 3/20 0.53
▸ BACE1 P56817 3/20 0.53
▸ TEAD1 P28347 3/20 0.53
▸ LSS P48449 1/20 0.52
▸ KCNH2 Q12809 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PHGDH O43175 1/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ DRD4 P21917 3/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ PRCP P42785 1/20 0.44

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
SCHEMBL2093665 0.94 ALDH1A1 (0.61) ALDH1A1TSHRBCHEACHEBACE1
SCHEMBL2093785 0.88 ALDH1A1 (0.52) ALDH1A1TSHRBCHEACHEBACE1
SCHEMBL2092331 0.84 SLC6A4 (0.58) ALDH1A1TSHRACHEKCNH2SLC6A4
SCHEMBL24478089 0.83 ALDH1A1 (0.71) ALDH1A1TSHRBCHEACHEBACE1
SCHEMBL2089800 0.83 ALDH1A1 (0.48) ALDH1A1TSHRBCHEACHEBACE1
SCHEMBL2092480 0.82 SLC6A4 (0.55) ALDH1A1TSHRACHESLC6A4SLC6A3
SCHEMBL2094510 0.82 DRD4 (0.52) ALDH1A1TSHRDRD4DRD2
SCHEMBL2095841 0.81 GRM2 (0.55) ALDH1A1TSHRACHESLC6A4SLC6A3
SCHEMBL2056136 0.81 ALDH1A1 (1.00) ALDH1A1TSHRBCHEACHEBACE1
SCHEMBL4217013 0.81 ALDH1A1 (0.68) ALDH1A1TSHRBCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 — — US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 — — US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 — — EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 — — WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — 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 (2 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885TSHR 162/4885BCHE 4823/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I ALDH1A1 3255/4885TSHR 4164/4885BCHE 1731/4885

“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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