SCHEMBL3540679

SCHEMBL3540679

c1ccc2c(c1)CCC[C@@H]2Nc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 2/20 1.00
HDAC6 Q9UBN7 1/20 1.00
KCNN1 Q92952 1/20 0.72
KCNN2 Q9H2S1 1/20 0.72

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
SCHEMBL3540682 1.00 KCNN3 (1.00) KCNN3HDAC6KCNN1KCNN2
SCHEMBL3194298 1.00 KCNN3 (1.00) KCNN3HDAC6KCNN1KCNN2
SCHEMBL30413342 1.00 KCNN3 (1.00) KCNN3HDAC6KCNN1KCNN2
SCHEMBL29354970 1.00 KCNN3 (1.00) KCNN3HDAC6KCNN1KCNN2
Hydrochloric Acid SCHEMBL29386908 0.99 KCNN3 (0.97) KCNN3HDAC6KCNN1KCNN2
Hydrochloric Acid SCHEMBL21713186 0.99 KCNN3 (0.97) KCNN3HDAC6KCNN1KCNN2
SCHEMBL3536825 0.96 KCNN3 (0.93) KCNN3HDAC6KCNN1KCNN2
SCHEMBL3542838 0.92 KCNN3 (0.85) KCNN3HDAC6KCNN1KCNN2
SCHEMBL3540207 0.86 KCNN3 (0.74) KCNN3HDAC6KCNN1KCNN2
SCHEMBL3545077 0.86 KCNN3 (0.74) KCNN3HDAC6KCNN1KCNN2

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
US-7737167-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-06-15 US claimed
EP-1776348-B1 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2008-05-28 EP claimed
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2007-08-23 US claimed
US-7737167-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-06-15 US disclosed
EP-1776348-B1 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2008-05-28 EP disclosed
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2007-08-23 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 (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-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels KCNN2, KCNN1, KCNN3 KCNN3 3/4885HDAC6 657/4885KCNN1 2/4885

“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.