SCHEMBL6475480

SCHEMBL6475480

COC(=O)CCCCCOc1ccc2nc(-c3ccc(OC)cc3)n(CCCN3CCN(c4ccccn4)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.51
MCHR1 Q99705 1/20 0.49
HRH3 Q9Y5N1 6/20 0.49
HTR1A P08908 2/20 0.48
HTR2A P28223 1/20 0.48
MC4R P32245 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 1/20 0.44
MAOA P21397 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
SCHEMBL6485926 0.92 MAOB (0.49) MAOBMCHR1HRH3HTR1AMC4R
SCHEMBL6475167 0.90 DRD2 (0.53) MCHR1HTR2AMC4RHTR7
SCHEMBL6474142 0.89 MC4R (0.52) MCHR1MC4R
SCHEMBL6480290 0.88 MC4R (0.51) MCHR1HTR1AMC4RHTR7
SCHEMBL6485221 0.88 MC4R (0.58) MCHR1MC4R
SCHEMBL6474588 0.87 MC4R (0.59) MCHR1HRH3MC4R
SCHEMBL6482608 0.85 AVPR1B (0.55) MCHR1MC4R
SCHEMBL6482649 0.82 HRH2 (0.48) MCHR1MC4R
SCHEMBL6484254 0.82 PDE3B (0.50) MC4R
SCHEMBL6483313 0.82 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 4 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 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 MAOB 285/4885MCHR1 2277/4885HRH3 665/4885

“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.