SCHEMBL4769327

SCHEMBL4769327

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CN(Cc1ccc2c(c1)CCO2)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
CXCR3 P49682 8/20 0.37
CNR2 P34972 1/20 0.36
GNRHR P30968 1/20 0.36
BCHE P06276 3/20 0.35
KCNH2 Q12809 1/20 0.35
EDNRB P24530 1/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL5137557 0.88 C5AR1 (0.42) C5AR1BCHEKCNH2
SCHEMBL5135945 0.86 C5AR1 (0.57) C5AR1
SCHEMBL648140 0.84 C5AR1 (0.44) C5AR1CXCR3
SCHEMBL5137356 0.84 MEN1 (0.45) C5AR1CNR2
SCHEMBL648304 0.84 C5AR1 (0.41) C5AR1BCHE
SCHEMBL5136874 0.84 C5AR1 (0.54) C5AR1CXCR3KCNH2
SCHEMBL648105 0.84 C5AR1 (0.38) C5AR1CNR2BCHE
SCHEMBL4766337 0.84 C5AR1 (0.38) C5AR1CNR2BCHE
SCHEMBL649149 0.83 C5AR1 (0.64) C5AR1
SCHEMBL5134570 0.83 C5AR1 (0.54) C5AR1CXCR3BCHEKCNH2

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 8 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
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-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 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 (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 2/4885CXCR3 83/4885CNR2 160/4885

“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.