SCHEMBL5169264

SCHEMBL5169264

CN(C)CC1CCCCC(=Cc2ccccc2Cl)C1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 4/20 0.48
HSP90AA1 P07900 3/20 0.47
MITF O75030 1/20 0.47
XDH P47989 2/20 0.45
EGFR P00533 1/20 0.45
DYRK2 Q92630 1/20 0.42
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
METAP1 P53582 2/20 0.37
HDAC1 Q13547 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL6866309 1.00 CCR6 (0.48) CCR6HSP90AA1MITFXDHEGFR
SCHEMBL6868193 0.96 CCR6 (0.51) CCR6HSP90AA1MITFXDHEGFR
SCHEMBL5169069 0.96 CCR6 (0.51) CCR6HSP90AA1MITFXDHEGFR
SCHEMBL6865063 0.91 HSP90AA1 (0.56) CCR6HSP90AA1MITFXDHEGFR
SCHEMBL5168336 0.91 HSP90AA1 (0.56) CCR6HSP90AA1MITFXDHEGFR
SCHEMBL5168451 0.86 HSP90AA1 (0.48) CCR6HSP90AA1MITFMAPTNPSR1
SCHEMBL6868242 0.86 HSP90AA1 (0.48) CCR6HSP90AA1MITFMAPTNPSR1
SCHEMBL6865884 0.85 HSP90AA1 (0.47) CCR6HSP90AA1MITFEGFRDYRK2
SCHEMBL5169687 0.85 HSP90AA1 (0.47) CCR6HSP90AA1MITFEGFRDYRK2
SCHEMBL6864896 0.83 HSP90AA1 (0.52) CCR6HSP90AA1MITFEGFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322590-B1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES GRUENENTHAL GMBH (DE) 2007-05-02 EP disclosed
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.