SCHEMBL6475167

SCHEMBL6475167

COC(=O)CCCCCOc1ccc2nc(-c3ccc(OC)cc3)n(CCCN3CCN(c4ccccc4)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD3 P35462 4/20 0.53
KMT2A Q03164 1/20 0.50
MCHR1 Q99705 2/20 0.49
MC4R P32245 1/20 0.48
AVPR1B P47901 5/20 0.46
HTR2A P28223 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
HTR7 P34969 2/20 0.44
AVPR1A P37288 1/20 0.44

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
SCHEMBL6474142 0.91 MC4R (0.52) MCHR1MC4RAVPR1B
SCHEMBL6485926 0.91 MAOB (0.49) DRD2MCHR1MC4RAVPR1BHTR7
SCHEMBL6475480 0.90 MAOB (0.51) MCHR1MC4RHTR2AHTR7
SCHEMBL6480290 0.90 MC4R (0.51) DRD2MCHR1MC4RAVPR1BHTR7
SCHEMBL6485221 0.90 MC4R (0.58) DRD2DRD3MCHR1MC4RAVPR1B
SCHEMBL6482608 0.89 AVPR1B (0.55) MCHR1MC4RAVPR1B
SCHEMBL6474588 0.89 MC4R (0.59) DRD2DRD3MCHR1MC4RAVPR1B
SCHEMBL6482649 0.84 HRH2 (0.48) KMT2AMCHR1MC4R
SCHEMBL6483313 0.83 PDE3B (0.50) MC4R
SCHEMBL6484254 0.83 PDE3B (0.50) MC4R

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-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
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
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
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 disclosed
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 disclosed
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 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 DRD2 521/4885DRD3 405/4885KMT2A 2506/4885

“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.