SCHEMBL5779752

SCHEMBL5779752

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
JAK3 P52333 3/20 0.46
PTK2 Q05397 2/20 0.46
GPR119 Q8TDV5 4/20 0.46
ADORA2A P29274 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
PIK3CA P42336 1/20 0.40
NAMPT P43490 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
PTPN11 Q06124 1/20 0.39
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTPN2 P17706 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
SCHEMBL2660003 0.89 ALDH1A1 (0.44) HDAC3HDAC2PTPN11ALDH1A1LMNA
SCHEMBL5779702 0.87 MAPT (0.46) JAK2JAK3PTK2GPR119ADORA2A
SCHEMBL2648620 0.82 HDAC3 (0.49) JAK2JAK3PTK2HDAC3HDAC2
SCHEMBL5781329 0.81 NPC1 (0.52) JAK2JAK3PTK2GPR119ADORA2A
SCHEMBL5781905 0.80 BACE1 (0.41) JAK2JAK3PTK2HDAC3HDAC2
SCHEMBL27558051 0.78 FAAH (0.40) HDAC3HDAC2ALDH1A1LMNAMAPT
SCHEMBL2651579 0.78 GPR119 (0.44) JAK2JAK3PTK2GPR119ADORA2A
SCHEMBL2658553 0.76 MAPT (0.45) ALDH1A1LMNAMAPT
SCHEMBL5782664 0.75 KDM4E (0.42) ALDH1A1LMNAMAPT
SCHEMBL2940257 0.74 GPR119 (0.45) GPR119ADORA2AALDH1A1MAPT

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
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
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 JAK2 609/4885JAK3 620/4885PTK2 3451/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 JAK2 712/4885JAK3 587/4885PTK2 3470/4885

“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.