SCHEMBL5199186

SCHEMBL5199186

CC1CCC(=O)C(CN(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.41
CCR6 P51684 1/20 0.36
METAP1 P53582 3/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MT-CO2 P00403 2/20 0.32
ALOX5 P09917 2/20 0.32

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
SCHEMBL13899831 0.81
SCHEMBL9190051 0.78 TLR4 (0.44) TLR4MT-CO2ALOX5
SCHEMBL6652483 0.77 CCR6 (0.34) CCR6METAP1MITFHSP90AA1ADRA2A
SCHEMBL6907551 0.76 TLR4 (0.47) TLR4MT-CO2ALOX5
SCHEMBL8019882 0.74 SIGMAR1 (0.35) TLR4CCR6METAP1MITFHSP90AA1
SCHEMBL4631245 0.74 HTR6 (0.39) CCR6METAP1MITFHSP90AA1
SCHEMBL6865770 0.74 HTR6 (0.39) CCR6METAP1MITFHSP90AA1
Hydrochloric Acid SCHEMBL8615192 0.73 CCR6 (0.35) TLR4CCR6METAP1MITFHSP90AA1
SCHEMBL6865388 0.72 CA1 (0.45) CCR6
SCHEMBL3146259 0.72 CA1 (0.45) CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411110-B1 Spiro compounds as perfuming ingredients FIRMENICH & CIE (CH) 2007-08-22 EP disclosed
US-7256170-B2 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2007-08-14 US disclosed
EP-1411110-A1 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2004-04-21 EP disclosed
US-20040072721-A1 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2004-04-15 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-20040072721-A1 Spiro compounds as perfuming ingredients SORD, PIR, AKR1C4 TLR4 1520/4885CCR6 772/4885METAP1 4639/4885

“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.