SCHEMBL2491279

SCHEMBL2491279

Cc1ccc(CCC(=O)O)c(C)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
FBP1 P09467 2/20 0.40
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.38
IMPDH2 P12268 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
LMNA P02545 1/20 0.36
GRIA2 P42262 1/20 0.36

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
SCHEMBL2492917 0.92 ALDH1A1 (0.41) NPSR1ALDH1A1TDP1TSHRIMPDH2
SCHEMBL2490626 0.86 ALDH1A1 (0.41) ALDH1A1TDP1TSHRPOLBLMNA
SCHEMBL30159484 0.85 FFAR4 (0.41) NPSR1FBP1POLBFFAR1FFAR4
SCHEMBL2494124 0.82 CYP4F2 (0.48) ALDH1A1TDP1POLB
SCHEMBL29130747 0.80 CA1 (0.42) NPSR1ALDH1A1FBP1POLBIMPDH2
SCHEMBL4657108 0.80 ALDH1A1 (0.38) ALDH1A1TDP1TSHRPOLB
SCHEMBL2491276 0.79 ALDH1A1 (0.48) ALDH1A1TDP1
SCHEMBL25234798 0.78 ALDH1A1 (0.48) ALDH1A1TDP1TSHRPOLB
SCHEMBL18509502 0.76 NQO2 (0.51) NPSR1ALDH1A1TDP1FBP1POLB
SCHEMBL18498499 0.76 NQO2 (0.52) NPSR1ALDH1A1TDP1FBP1

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 NPSR1 1445/4885ALDH1A1 1031/4885TDP1 1051/4885

“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.