SCHEMBL4766749

SCHEMBL4766749

CCOC(=O)CCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CNC(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
FAAH O00519 3/20 0.42
DHODH Q02127 1/20 0.42
GAA P10253 3/20 0.41
TP53 P04637 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
EDNRA P25101 3/20 0.39
PTGFR P43088 2/20 0.39
MGLL Q99685 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4767009 0.87 C5AR1 (0.57) C5AR1DHODHGAASIRT2PTGFR
SCHEMBL4765728 0.85 C5AR1 (0.45) C5AR1GAAEDNRAPTGFRHPGD
SCHEMBL4766751 0.81 C5AR1 (0.58) C5AR1FAAHDHODHGAATP53
Dimethylamine SCHEMBL653059 0.80 C5AR1 (0.47) C5AR1SIRT2EDNRAPTGFRHPGD
SCHEMBL650122 0.80 C5AR1 (0.49) C5AR1DHODHGAAPTGFRHPGD
SCHEMBL648833 0.80 C5AR1 (0.58) C5AR1DHODHSIRT2PTGFRHPGD
SCHEMBL649207 0.79 C5AR1 (0.49) C5AR1DHODHGAASIRT2PTGFR
SCHEMBL5632494 0.79 C5AR1 (0.47) C5AR1SIRT2EDNRAPTGFRHPGD
SCHEMBL648795 0.79 C5AR1 (0.47) C5AR1TP53SIRT2EDNRAHPGD
SCHEMBL649051 0.78 C5AR1 (0.47) C5AR1GAAEDNRAPTGFRHPGD

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 11 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 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-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
EP-1322309-A4 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2004-10-13 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
EP-1322309-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP disclosed
WO-2002049993-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-06-27 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 2/4885FAAH 1797/4885DHODH 2184/4885

“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.