SCHEMBL18179840

SCHEMBL18179840

CN1CCC(C2=CC(=O)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.42
PLG P00747 1/20 0.41
QDPR P09417 2/20 0.36
ACHE P22303 4/20 0.36
HTR1F P30939 1/20 0.36
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL18177018 0.80 TLR4 (0.39) TLR4
SCHEMBL1021749 0.77 TLR4 (0.53) TLR4ALDH1A1
SCHEMBL12179658 0.77 ALOX15 (0.35) PLGQDPRACHEHTR1FGAA
SCHEMBL1022576 0.75 TLR4 (0.52) TLR4ALDH1A1GAA
SCHEMBL9212476 0.74 HTR2A (0.35) HTR2A
SCHEMBL10975419 0.72
SCHEMBL17146943 0.68 MAPK14 (0.35) PLGQDPR
SCHEMBL11181948 0.67 TLR4 (0.47) TLR4ALDH1A1
SCHEMBL5201714 0.65 TLR4 (0.55) TLR4GAA
SCHEMBL9609547 0.65 TLR4 (0.50) TLR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-10-27 US 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-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB TLR4 609/4885PLG 4674/4885QDPR 2775/4885

“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.