SCHEMBL6865890

SCHEMBL6865890

CN(C)CC1CCC(=Cc2cccc3ccccc23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 4/20 0.55
HSP90AA1 P07900 3/20 0.55
MITF O75030 1/20 0.54
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APP P05067 1/20 0.42
ACHE P22303 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
AKR1B1 P15121 1/20 0.39
KMT2A Q03164 1/20 0.39
METAP1 P53582 2/20 0.38
PIM1 P11309 1/20 0.37

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
SCHEMBL5170432 1.00 CCR6 (0.55) CCR6HSP90AA1MITFALDH1A1LMNA
SCHEMBL6864642 0.93 CCR6 (0.47) CCR6HSP90AA1MITFALDH1A1LMNA
SCHEMBL5169763 0.93 CCR6 (0.47) CCR6HSP90AA1MITFALDH1A1LMNA
SCHEMBL5169035 0.92 CCR6 (0.47) CCR6HSP90AA1MITFALDH1A1LMNA
SCHEMBL6868047 0.92 CCR6 (0.47) CCR6HSP90AA1MITFALDH1A1LMNA
SCHEMBL5172535 0.83 HSP90AA1 (0.57) CCR6HSP90AA1MITFALDH1A1MAPT
SCHEMBL6868561 0.83 HSP90AA1 (0.57) CCR6HSP90AA1MITFALDH1A1MAPT
SCHEMBL6860694 0.82 HSP90AA1 (0.56) CCR6HSP90AA1MITFMAPTACHE
SCHEMBL5168336 0.82 HSP90AA1 (0.56) CCR6HSP90AA1MITFMAPTHTT
SCHEMBL6865063 0.82 HSP90AA1 (0.56) CCR6HSP90AA1MITFMAPTHTT

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-6815443-B2 CARBOCYCLIC OXY AMINES SUCH AS 2-BENZYLIDENE-6-DIMETHYLAMINO METHYLCYCLOHEXANONE, USED AS ANALGESICS GRUENENTHAL GMBH (DE) 2004-11-09 US disclosed
US-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives GRUENENTHAL GMBH (DE) 2003-11-27 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-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives ALOX5, PGA5, ANXA5 CCR6 3774/4885HSP90AA1 3894/4885MITF 1595/4885

“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.