SCHEMBL2491276

SCHEMBL2491276

CCOC(=O)CCCc1ccc(C)c([N+](=O)[O-])c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
CYP1A2 P05177 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX5 P09917 1/20 0.40
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 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
SCHEMBL2494124 0.93 CYP4F2 (0.48) ALDH1A1TDP1CYP4F2CYP4A11CYP1A2
SCHEMBL2492917 0.83 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2KMT2AMAPK1
SCHEMBL29901105 0.80 CYP4F2 (0.46) ALDH1A1TDP1CYP4F2CYP4A11CYP1A2
SCHEMBL4658102 0.80 ALDH1A1 (0.53) ALDH1A1TDP1CYP4F2CYP4A11CYP1A2
SCHEMBL16501685 0.80 CYP4F2 (0.46) ALDH1A1TDP1CYP4F2CYP4A11CYP1A2
SCHEMBL2491279 0.79 NPSR1 (0.47) ALDH1A1TDP1
SCHEMBL4656878 0.78 CYP4F2 (0.59) ALDH1A1TDP1CYP4F2CYP4A11CYP1A2
SCHEMBL2490626 0.77 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4MAPT
SCHEMBL4658129 0.76 CYP4F2 (0.48) ALDH1A1TDP1CYP4F2CYP4A11CYP1A2
SCHEMBL21824095 0.76 ALDH1A1 (0.60) ALDH1A1TDP1CYP4F2CYP4A11CYP1A2

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 9 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
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 ALDH1A1 1031/4885TDP1 1051/4885CYP4F2 1749/4885

“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.