SCHEMBL2493684

SCHEMBL2493684

Cc1cc2c(c(C)c1[N+](=O)[O-])CCC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 8/20 0.36
GRIN3B O60391 8/20 0.36
GRIN1 Q05586 8/20 0.36
GRIN2A Q12879 8/20 0.36
GRIN2B Q13224 8/20 0.36
GRIN2C Q14957 8/20 0.36
GRIN3A Q8TCU5 8/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.32
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL2491435 0.92 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16501684 0.84 ALDH1A1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13930558 0.76 ALDH1A1 (0.35) ALDH1A1GAA
SCHEMBL6336167 0.75 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL23106195 0.73 ALDH1A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20502557 0.72 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18007639 0.72 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7123504 0.72 ALDH1A1 (0.33) ALDH1A1TSHRMAPT
SCHEMBL2492885 0.72 HSD17B10 (0.36) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL1652005 0.72 CYP2C9 (0.37) ALDH1A1KMT2AGAAMAPTMEN1

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
EP-2086925-B1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INT (US) 2011-12-21 EP disclosed
US-8030518-B2 E.g., N-(5-(4-fluorophenylamino)-1,3-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3,3-dimethylbutanamide; treating or preventing neuropathic and chronic pain, bipolar disorder, migraine, epilepsy, a seizure or a disorder characterized by a seizure VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-10-04 US disclosed
US-8030518-B2 E.g., N-(5-(4-fluorophenylamino)-1,3-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3,3-dimethylbutanamide; treating or preventing neuropathic and chronic pain, bipolar disorder, migraine, epilepsy, a seizure or a disorder characterized by a seizure VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-10-04 US disclosed
US-8030518-B2 E.g., N-(5-(4-fluorophenylamino)-1,3-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3,3-dimethylbutanamide; treating or preventing neuropathic and chronic pain, bipolar disorder, migraine, epilepsy, a seizure or a disorder characterized by a seizure VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-10-04 US disclosed
CN-101578259-A 1,4 diamino bicyclic retigabine analogues as potassium channel modulators VALEANT PHARMACEUTICALS INT (US) 2009-11-11 CN disclosed
EP-2086925-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International (US) 2009-08-12 EP disclosed
US-20080234334-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-09-25 US disclosed
US-20080234334-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-09-25 US disclosed
US-20080234334-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-09-25 US disclosed
WO-2008066900-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-06-05 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 (1 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-20080234334-A1 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS KCNB2, KCNB1, KCNA1 GRIN2D 154/4885GRIN3B 165/4885GRIN1 101/4885

“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.