SCHEMBL4766754

SCHEMBL4766754

CCCCN(Cc1ccc2c(c1)OCO2)Cc1c(-c2ccccc2)nc(-c2ccccc2OC)n1CCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.57
F2R P25116 1/20 0.44
HTR2A P28223 10/20 0.43
HTR2B P41595 10/20 0.43
HTR2C P28335 9/20 0.43
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1D P28221 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL1913065 0.96 C5AR1 (0.60) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL4764278 0.94 C5AR1 (0.58) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL5135009 0.94 C5AR1 (0.60) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL649820 0.90 C5AR1 (0.62) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL5137882 0.89 C5AR1 (0.71) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL5136808 0.89 C5AR1 (0.53) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL14572888 0.89 C5AR1 (0.53) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL5134900 0.88 C5AR1 (0.63) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL5136605 0.88 C5AR1 (0.60) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL5137483 0.87 C5AR1 (0.67) C5AR1F2RGNRHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP claimed
EP-1322309-A4 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2004-10-13 EP claimed
EP-1322309-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP claimed
WO-2002049993-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-06-27 WO claimed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 C5AR1 2/4885F2R 19/4885HTR2A 263/4885

“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.