SCHEMBL10195019

SCHEMBL10195019

CCN1CCOC(CCO)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
DRD3 P35462 5/20 0.40
DRD4 P21917 10/20 0.40
DRD2 P14416 2/20 0.38
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDK1 Q15118 2/20 0.35
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33

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
SCHEMBL12235344 1.00 HRH3 (0.42) HRH3DRD3DRD4DRD2CCR2
Iodide SCHEMBL10383790 0.98 HRH3 (0.41) HRH3DRD3DRD4DRD2CCR2
SCHEMBL9935981 0.88 HRH3 (0.46) HRH3DRD3DRD4DRD2CCR2
SCHEMBL10181368 0.85 PDK1 (0.49) HRH3DRD3DRD4DRD2CCR2
SCHEMBL19488377 0.85 PDK1 (0.49) HRH3DRD3DRD4DRD2CCR2
SCHEMBL24859542 0.85 PDK1 (0.49) HRH3DRD3DRD4DRD2CCR2
SCHEMBL22463771 0.85 HRH3 (0.43) HRH3DRD3DRD4DRD2CCR2
SCHEMBL9936319 0.85 HRH3 (0.43) HRH3DRD3DRD4DRD2CCR2
SCHEMBL13337770 0.83 KDM4E (0.44) DRD3DRD4DRD2CYP1A2CYP3A4
SCHEMBL8283682 0.83 SIGMAR1 (0.42) DRD3DRD4DRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
US-8278455-B2 5- or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-02 US disclosed
US-8278455-B2 5- or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-02 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
EP-1697347-B1 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2011-02-23 EP disclosed
US-20090062278-A1 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 US disclosed
US-20090062278-A1 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 US disclosed
US-20070093502-A1 5- Or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication BONFANTI JEAN-FRANCOIS 2007-04-26 US disclosed
US-20070093502-A1 5- Or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication BONFANTI JEAN-FRANCOIS 2007-04-26 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 (3 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-20070093502-A1 5- Or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SUB1, HYOU1 HRH3 27/4885DRD3 1471/4885DRD4 2425/4885
US-20090062278-A1 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYC1, SUB1 HRH3 50/4885DRD3 1698/4885DRD4 2818/4885
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A HRH3 2153/4885DRD3 1460/4885DRD4 1603/4885

“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.