SCHEMBL2490626

SCHEMBL2490626

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 4/20 0.37
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
CYP3A4 P08684 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.32
PDK1 Q15118 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2491279 0.86 NPSR1 (0.47) ALDH1A1TDP1TSHRPOLBLMNA
SCHEMBL2492917 0.82 ALDH1A1 (0.41) ALDH1A1TDP1TSHR
SCHEMBL2494124 0.81 CYP4F2 (0.48) ALDH1A1TDP1HPGDPOLBCYP3A4
SCHEMBL2491276 0.77 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4MAPT
SCHEMBL25234798 0.77 ALDH1A1 (0.48) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL5205707 0.77 ALDH1A1 (0.48) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL4657108 0.75 ALDH1A1 (0.38) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL671038 0.74 ALDH1A1 (0.48) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL27784256 0.74 ALDH1A1 (0.48) ALDH1A1TDP1TSHRHPGDPOLB
SCHEMBL11695700 0.72 ALDH1A1 (0.47) ALDH1A1TDP1TSHRHPGDPOLB

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 6 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
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
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 ALDH1A1 1031/4885TDP1 1051/4885TSHR 3206/4885

“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.