SCHEMBL648844

SCHEMBL648844

CCCCC(c1cnc(-c2ccccc2)n1CCCC)N(Cc1ccc(OC)cc1)CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.34
OPRK1 P41145 6/20 0.34
LTC4S Q16873 1/20 0.34
CXCR3 P49682 2/20 0.34
TSHR P16473 1/20 0.34
CHRM5 P08912 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
PDE6D O43924 1/20 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
SCHEMBL1912805 1.00 PTGES (0.37) PTGESTAS2R14CHRM1CHRM3CHRM2
SCHEMBL648843 1.00 PTGES (0.37) PTGESTAS2R14CHRM1CHRM3CHRM2
SCHEMBL5137842 0.91 MEN1 (0.40) TAS2R14CHRM1CHRM3CHRM2HTR2C
SCHEMBL5136865 0.90 TSHR (0.35) PTGESCXCR3TSHR
SCHEMBL4763850 0.90 TSHR (0.35) PTGESOPRK1CXCR3TSHROPRM1
SCHEMBL5136913 0.89 ABCC1 (0.38) PTGESTP53MAPTCXCR3TSHR
SCHEMBL5134552 0.88 TSHR (0.40) TP53MAPTHTTTSHR
SCHEMBL5072244 0.86 CXCR3 (0.40) CXCR3
SCHEMBL5071417 0.86 TSHR (0.39) TP53MAPTTSHR
SCHEMBL5137622 0.86 CXCR3 (0.44) CXCR3

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 PTGES 690/4885TAS2R14 2193/4885CHRM1 47/4885

“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.