Sugi Predict

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SCHEMBL5137360

SCHEMBL5137360

CCCCn1c(CN(Cc2ccccc2)Cc2ccc(N)cc2)cnc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ MAPT P10636 1/20 0.43
▸ HSD11B1 P28845 2/20 0.41
▸ PDE4B Q07343 2/20 0.39
▸ C5AR1 P21730 1/20 0.37
▸ TLR7 Q9NYK1 2/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TLR8 Q9NR97 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
SCHEMBL5072278 0.93 TSHR (0.51) TSHRHSD11B1PDE4BC5AR1NR1H3
SCHEMBL5137319 0.91 TSHR (0.47) TSHRHSD11B1PDE4BC5AR1NR1H3
SCHEMBL5070162 0.91 TSHR (0.47) TSHRMAPTHSD11B1PDE4BC5AR1
SCHEMBL5136048 0.90 TSHR (0.42) TSHRMAPTHSD11B1PDE4BC5AR1
SCHEMBL5134980 0.90 HSD11B1 (0.54) TSHRHSD11B1C5AR1CNR2
SCHEMBL5134965 0.90 HSD11B1 (0.48) TSHRHSD11B1PDE4BC5AR1NR1H3
SCHEMBL5136923 0.89 TSHR (0.43) TSHRHSD11B1PDE4BC5AR1NR1H3
SCHEMBL5137316 0.89 TSHR (0.45) TSHRMAPTHSD11B1PDE4BC5AR1
SCHEMBL5136484 0.89 TSHR (0.45) TSHRHSD11B1PDE4BC5AR1NR1H3
SCHEMBL5136036 0.89 TSHR (0.45) TSHRHSD11B1PDE4BC5AR1NR1H3

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 952/4885MAPT 4725/4885HSD11B1 4488/4885

“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.