SCHEMBL5928964

SCHEMBL5928964

CCCCn1c(-c2c(C)cccc2C)nc(Cl)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.41
AGTR1 P30556 3/20 0.39
AGTR2 P50052 3/20 0.39
GP6 Q9HCN6 1/20 0.37
TSHR P16473 1/20 0.36
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL5928905 0.83 TLR8 (0.47) TLR8TSHR
SCHEMBL2560827 0.79 KDM4E (0.38) TSHRLMNAMAPT
SCHEMBL5928902 0.78 TLR8 (0.43) TLR8TSHRLMNAMAPT
SCHEMBL5929077 0.77 TLR8 (0.42) TLR8AGTR1AGTR2
SCHEMBL1912824 0.73 PTGER4 (0.35) TSHR
SCHEMBL18152746 0.73 TLR8 (0.48) TLR8TSHRCNR2TDP1L3MBTL1
SCHEMBL1422956 0.68 HPGD (0.45) TSHRMAPTTDP1
SCHEMBL28516123 0.68 AGTR1 (0.47) AGTR1AGTR2GP6
SCHEMBL5929307 0.68 TLR8 (0.38) TLR8TSHR
SCHEMBL1912807 0.68 TSHR (0.55) AGTR2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators NEUROGEN CORPORATION (US) 2006-07-13 US disclosed
WO-2005007087-A2 SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-01-27 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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators C5AR1, C5AR2, C3AR1 TLR8 202/4885AGTR1 46/4885AGTR2 58/4885

“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.