SCHEMBL6139535

SCHEMBL6139535

CC(C)(C)OC(=O)NC1(c2ccccc2)CCN(c2nc3cccc4c3n2CCNC4=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.46
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
AKT1 P31749 1/20 0.39

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
Hydrochloric Acid SCHEMBL6139500 0.77 PARP1 (0.55) PARP1
SCHEMBL6139121 0.73 PARP1 (0.63) PARP1
SCHEMBL27572635 0.73 ALDH1A1 (0.39) PARP1CNR1CNR2
SCHEMBL12750844 0.72 PARP1 (0.51) PARP1
SCHEMBL16420447 0.69 CNR1 (0.47) CNR1CNR2AKT1
SCHEMBL3892253 0.69 OPRM1 (0.45) CNR1CNR2AKT1
SCHEMBL2554955 0.69 AKT1 (0.47) CNR1CNR2AKT1
SCHEMBL16418423 0.69 GRIN2D (0.50) CNR1CNR2AKT1
SCHEMBL6139770 0.68 PARP1 (0.59) PARP1
Hydrochloric Acid SCHEMBL27552695 0.68 OPRM1 (0.44) CNR1CNR2AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979683-B2 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-12-27 US disclosed
EP-1339719-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-20040029866-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2004-02-12 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-20040029866-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CBR1, NR3C1 PARP1 1683/4885CNR1 9/4885CNR2 29/4885

“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.