SCHEMBL5136708

SCHEMBL5136708

CCCCn1c(CN(Cc2ccccc2)Cc2ccc3c(c2)CCO3)cnc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
KCNH2 Q12809 2/20 0.42
TSHR P16473 2/20 0.37
CHRM5 P08912 4/20 0.37
CHRM1 P11229 4/20 0.37
CXCR3 P49682 3/20 0.36
CHRM4 P08173 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM2 P08172 1/20 0.36
MET P08581 1/20 0.35

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
SCHEMBL5136083 0.98 C5AR1 (0.46) C5AR1KCNH2TSHRCHRM5CHRM1
SCHEMBL1912862 0.95 C5AR1 (0.49) C5AR1KCNH2TSHRCHRM5CHRM1
SCHEMBL5135014 0.93 C5AR1 (0.54) C5AR1KCNH2TSHRCHRM5CHRM1
SCHEMBL5137871 0.93 C5AR1 (0.39) C5AR1KCNH2CHRM5CHRM1CXCR3
SCHEMBL5137683 0.90 C5AR1 (0.53) C5AR1TSHR
SCHEMBL1912837 0.88 C5AR1 (0.55) C5AR1TSHR
SCHEMBL5137517 0.87 C5AR1 (0.50) C5AR1TSHR
SCHEMBL5134857 0.86 C5AR1 (0.60) C5AR1TSHR
SCHEMBL5178967 0.84 C5AR1 (0.45) C5AR1KCNH2TSHR
SCHEMBL5134695 0.84 C5AR1 (0.47) C5AR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP 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 2/4885KCNH2 3215/4885TSHR 952/4885

“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.