Sugi Predict

Sugi Predict / Compounds / SCHEMBL5135079

SCHEMBL5135079

SCHEMBL5135079

CCCCn1c(CN(Cc2ccccc2)Cc2ccc3[nH]ccc3c2)cnc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ F2 P00734 1/20 0.36
▸ HSD11B1 P28845 2/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PDE4B Q07343 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33

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
SCHEMBL5135365 0.97 TSHR (0.37) C5AR1TSHRF2HSD11B1GRM2
SCHEMBL5075240 0.94 F2 (0.37) TSHRF2NPC1ADORA2BKLKB1
SCHEMBL5136544 0.94 BCHE (0.39) C5AR1TSHRF2HSD11B1GRM2
SCHEMBL4764303 0.89 C5AR1 (0.54) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL5136794 0.86 BCHE (0.48) C5AR1TSHRHSD11B1BCHEKDM4E
SCHEMBL5072278 0.85 TSHR (0.51) C5AR1TSHRHSD11B1BCHEADORA2B
SCHEMBL5136052 0.83 TSHR (0.43) C5AR1TSHRHSD11B1BCHEADORA2B
SCHEMBL651784 0.83 C5AR1 (0.46) C5AR1TSHRHSD11B1GRM2BCHE
SCHEMBL5137319 0.83 TSHR (0.47) C5AR1TSHRHSD11B1BCHEADORA2B
SCHEMBL5070162 0.83 TSHR (0.47) C5AR1TSHRHSD11B1ADORA2BKDM4E

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 2/4885TSHR 952/4885F2 199/4885

“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.