SCHEMBL5136164

SCHEMBL5136164

CCCCn1c(CN(Cc2ccccc2)Cc2ccc(N)c(C)c2)cnc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SKP2 Q13309 1/20 0.39
PDE4B Q07343 2/20 0.39
C5AR1 P21730 1/20 0.38
HSD11B1 P28845 2/20 0.38
NR1H3 Q13133 1/20 0.35
TLR7 Q9NYK1 4/20 0.34
BCHE P06276 1/20 0.33
ADORA2B P29275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL5136052 0.91 TSHR (0.43) TSHRPDE4BC5AR1HSD11B1NR1H3
SCHEMBL5137360 0.89 TSHR (0.45) TSHRPDE4BC5AR1HSD11B1NR1H3
SCHEMBL5072278 0.88 TSHR (0.51) TSHRPDE4BC5AR1HSD11B1NR1H3
SCHEMBL5135386 0.88 TSHR (0.41) TSHRPDE4BC5AR1HSD11B1NR1H3
SCHEMBL5136591 0.88 TSHR (0.41) TSHRPDE4BC5AR1HSD11B1NR1H3
SCHEMBL5137319 0.86 TSHR (0.47) TSHRPDE4BC5AR1HSD11B1NR1H3
SCHEMBL5070162 0.86 TSHR (0.47) TSHRPDE4BC5AR1HSD11B1NR1H3
SCHEMBL5134992 0.86 TSHR (0.41) TSHRPDE4BC5AR1HSD11B1NR1H3
SCHEMBL5136794 0.86 BCHE (0.48) TSHRPDE4BC5AR1HSD11B1NR1H3
SCHEMBL5136048 0.86 TSHR (0.42) TSHRPDE4BC5AR1HSD11B1NR1H3

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 TSHR 952/4885SKP2 2172/4885PDE4B 1311/4885

“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.