SCHEMBL2494124

SCHEMBL2494124

CCOC(=O)CCc1ccc(C)c([N+](=O)[O-])c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.48
CYP4A11 Q02928 3/20 0.48
MAPT P10636 4/20 0.43
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
MITF O75030 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2491276 0.93 ALDH1A1 (0.48) CYP4F2CYP4A11MAPTALDH1A1TDP1
SCHEMBL16501685 0.86 CYP4F2 (0.46) CYP4F2CYP4A11MAPTALDH1A1TDP1
SCHEMBL29901105 0.86 CYP4F2 (0.46) CYP4F2CYP4A11MAPTALDH1A1TDP1
SCHEMBL2491279 0.82 NPSR1 (0.47) ALDH1A1TDP1POLB
SCHEMBL2490626 0.81 ALDH1A1 (0.41) MAPTALDH1A1TDP1POLBTRPV1
SCHEMBL2492917 0.78 ALDH1A1 (0.41) ALDH1A1TDP1KMT2AMEN1MAPK1
SCHEMBL1919090 0.75 CYP4F2 (0.63) CYP4F2CYP4A11MAPTALDH1A1TDP1
SCHEMBL3117835 0.75 ALDH1A1 (0.69) CYP4F2CYP4A11MAPTALDH1A1TDP1
SCHEMBL27847284 0.75 ALDH1A1 (0.52) CYP4F2CYP4A11MAPTALDH1A1TDP1
SCHEMBL14436163 0.74 ALDH1A1 (0.51) CYP4F2CYP4A11MAPTALDH1A1TDP1

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 CYP4F2 1749/4885CYP4A11 1856/4885MAPT 2878/4885

“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.