SCHEMBL6475231

SCHEMBL6475231

COC(=O)CCCCCOc1ccc2c(c1)nc(-c1ccccc1)n2C/C=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.46
DRD2 P14416 9/20 0.46
PDE3B Q13370 6/20 0.46
PDE3A Q14432 6/20 0.46
P2RY12 Q9H244 5/20 0.46
PDE2A O00408 2/20 0.45
LTB4R Q15722 1/20 0.44
HDAC1 Q13547 2/20 0.44
TOP1 P11387 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL6475234 1.00 DRD3 (0.46) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6474089 0.94 DRD3 (0.43) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6474086 0.94 DRD3 (0.43) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6481891 0.93 PDE3B (0.48) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6481888 0.93 PDE3B (0.48) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6475201 0.91 PPARA (0.50) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6475198 0.91 PPARA (0.50) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6482133 0.88 KDM4E (0.51) DRD3DRD2PDE3BPDE3AP2RY12
SCHEMBL6482841 0.85 GAA (0.51) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6482127 0.84 PTGER4 (0.49) DRD3DRD2PDE3BPDE3AP2RY12

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-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US claimed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP claimed
US-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-03-20 US claimed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO claimed
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 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-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives ARG2, MSR1, ARG1 DRD3 405/4885DRD2 521/4885PDE3B 210/4885

“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.