SCHEMBL15844259

SCHEMBL15844259

O=C(NCC1CCCN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.69
▸ HDAC4 P56524 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ KCNH2 Q12809 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CACNA1F O60840 1/20 0.50
▸ KCNA5 P22460 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ CACNA1D Q01668 1/20 0.50
▸ CACNA1S Q13698 1/20 0.50
▸ CACNA1C Q13936 1/20 0.50
▸ SCN5A Q14524 1/20 0.50

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
SCHEMBL15844424 1.00 SCN9A (0.69) SCN9AHDAC4HDAC6CYP1A2CYP2D6
SCHEMBL15844258 1.00 SCN9A (0.69) SCN9AHDAC4HDAC6CYP1A2CYP2D6
SCHEMBL28735380 0.88 SCN9A (0.56) SCN9AHDAC4HDAC6CYP1A2CYP2D6
SCHEMBL29658301 0.88 SCN9A (0.56) SCN9AHDAC4HDAC6CYP1A2CYP2D6
SCHEMBL15244837 0.85 SCN9A (0.94) SCN9AHDAC4HDAC6CYP1A2CYP2D6
SCHEMBL15244839 0.83 SCN9A (0.75) SCN9AHDAC4HDAC6CYP1A2CYP2D6
SCHEMBL17437608 0.82 SCN9A (0.54) SCN9ACYP1A2CYP2D6KCNH2LMNA
SCHEMBL17437611 0.82 SCN9A (0.54) SCN9ACYP1A2CYP2D6KCNH2LMNA
SCHEMBL15244751 0.82 SCN9A (1.00) SCN9AHDAC4HDAC6CYP1A2CYP2D6
SCHEMBL15229177 0.80 SCN9A (0.55) SCN9AHDAC4HDAC6CYP1A2CYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351514-B2 Benzimidazole inhibitors of the sodium channel Mark G. DeGiacomo, Interim Trustee (US) 2019-07-16 — — US disclosed
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 — — US disclosed
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2017-09-14 — — US disclosed
US-9688615-B2 Benzimidazole inhibitors of the sodium channel DEGIACOMO, INTERIM TRUSTEE, MARK G. (US) 2017-06-27 — — US disclosed
EP-3009427-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals Ltd. (CA) 2016-04-20 — — EP disclosed
US-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2015-12-17 — — US disclosed
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (CA) 2014-07-03 — — US 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 (5 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-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 SCN9A 50/4885HDAC4 297/4885HDAC6 192/4885
US-10351514-B2 Benzimidazole inhibitors of the sodium channel SCN1A, KCNJ11, KCNJ1 SCN9A 52/4885HDAC4 297/4885HDAC6 193/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 SCN9A 52/4885HDAC4 297/4885HDAC6 193/4885
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 SCN9A 50/4885HDAC4 297/4885HDAC6 192/4885
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 SCN9A 39/4885HDAC4 298/4885HDAC6 179/4885

“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.

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