SCHEMBL2300499

SCHEMBL2300499

FC(F)(F)Oc1cccc(N2CC[N]CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.55
NOTUM Q6P988 1/20 0.52
MLYCD O95822 1/20 0.52
PHGDH O43175 1/20 0.47
FFAR4 Q5NUL3 1/20 0.45
PIM1 P11309 1/20 0.44
RXRA P19793 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
GALR2 O43603 1/20 0.41
GALR1 P47211 1/20 0.41
SCN9A Q15858 1/20 0.41
CCR6 P51684 1/20 0.41
CHRM4 P08173 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
CASR P41180 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2097270 0.81 KCNA5 (0.47) FFAR4RXRAGRIN1GRIN2BCHRM4
SCHEMBL1735099 0.81 ADRB1 (0.64) DHFRNOTUMMLYCDPIM1SCN9A
SCHEMBL12968842 0.81 ADRA2C (0.56) DHFRNOTUMMLYCDPHGDHPIM1
SCHEMBL28195870 0.81 PRKDC (0.56) DHFRNOTUMMLYCDPHGDHFFAR4
SCHEMBL17893529 0.79 NOTUM (0.54) DHFRNOTUMMLYCDPHGDHFFAR4
SCHEMBL1365556 0.78 ADRB1 (0.65) DHFRNPC1MAPTDRD2KCNH2
SCHEMBL24596867 0.78 NOTUM (0.56) DHFRNOTUMMLYCDPHGDHFFAR4
SCHEMBL22984344 0.77 DRD2 (0.58) DHFRNOTUMMLYCDPHGDHFFAR4
SCHEMBL220303 0.77 ALDH1A1 (0.66) DHFRMAPT
SCHEMBL4671113 0.77 SLC6A2 (0.49) FFAR4NPC1MAPTFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
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-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP 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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (3 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-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 DHFR 2423/4885NOTUM 2466/4885MLYCD 476/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 DHFR 180/4885NOTUM 3827/4885MLYCD 1955/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I DHFR 4400/4885NOTUM 1292/4885MLYCD 2216/4885

“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.