SCHEMBL6280909

SCHEMBL6280909

CC(=O)N1CCN(CCOC(=O)c2cccc(Nc3ccc(-c4ccoc4)cc3N)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
CDC25B P30305 5/20 0.40
NPSR1 Q6W5P4 1/20 0.38
HDAC2 Q92769 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
BRD4 O60885 1/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
EPHX2 P34913 1/20 0.35
HDAC3 O15379 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
MAPK14 Q16539 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.35
PIK3CD O00329 1/20 0.35
HTR2B P41595 1/20 0.34

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
SCHEMBL5780075 0.87 AKR1C4 (0.41) L3MBTL1NPSR1HRH3HTR2AHTR2C
SCHEMBL5778521 0.79 CHRNB2 (0.57)
SCHEMBL27578439 0.78 CDC25B (0.42) CDC25BNPSR1HDAC2HDAC3HDAC1
SCHEMBL5782664 0.77 KDM4E (0.42) NPSR1
SCHEMBL2643778 0.75 GAA (0.54) L3MBTL1CDC25BHDAC2HDAC1
SCHEMBL27482947 0.75 GAA (0.47) L3MBTL1CDC25BHDAC2HDAC1
SCHEMBL2660003 0.75 ALDH1A1 (0.44) CDC25BNPSR1HDAC2HDAC3
SCHEMBL2651468 0.74 KDR (0.43) L3MBTL1NPSR1
SCHEMBL7227330 0.74 L3MBTL1 (0.39) L3MBTL1NPSR1HRH3HTR2AHTR2C
SCHEMBL2660868 0.74 NPSR1 (0.53) L3MBTL1NPSR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN 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 (2 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 L3MBTL1 2878/4885CDC25B 3722/4885NPSR1 1946/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 L3MBTL1 3108/4885CDC25B 3778/4885NPSR1 2062/4885

“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.