SCHEMBL5928902

SCHEMBL5928902

CCCCn1c(-c2c(C)cccc2C)nc(Cl)c1CCl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.43
TSHR P16473 1/20 0.38
CASR P41180 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL5929077 0.88 TLR8 (0.42) TLR8
SCHEMBL5928905 0.85 TLR8 (0.47) TLR8TSHRCASRHSP90AA1HSP90AB1
SCHEMBL5928964 0.78 TLR8 (0.41) TLR8TSHRLMNAMAPT
SCHEMBL650781 0.75 KMT2A (0.37) TLR8CASR
SCHEMBL18152746 0.75 TLR8 (0.48) TLR8TSHR
SCHEMBL5929133 0.75 CASR (0.36) TLR8TSHRCASRHSP90AA1HSP90AB1
SCHEMBL651362 0.73 CRHR1 (0.35) TLR8
SCHEMBL648585 0.73 CRHR1 (0.34) TLR8LMNA
SCHEMBL650625 0.71 MEN1 (0.44)
SCHEMBL11095759 0.69 TSHR (0.55) TSHR

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 202/4885TSHR 472/4885CASR 259/4885

“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.