SCHEMBL6505049

SCHEMBL6505049

NC(=O)C1C[CH]CCN1Cc1cccc(Oc2ccccc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
SPHK1 Q9NYA1 1/20 0.46
MGLL Q99685 1/20 0.46
CCR8 P51685 9/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAOB P27338 5/20 0.41
MAOA P21397 4/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL6504152 0.89 CCR8 (0.52) SPHK1MGLLCCR8KMT2AMEN1
SCHEMBL6501382 0.87 KMT2A (0.54) FAAHSPHK1CCR8KMT2AMEN1
SCHEMBL6505185 0.82 CCR8 (0.45) SPHK1MGLLCCR8KMT2AMEN1
SCHEMBL2855574 0.81 KDM4E (0.46) SPHK1KMT2AMAOBMAOA
SCHEMBL2699801 0.80 SPHK1 (0.49) SPHK1MAOBMAOAKCNH2
SCHEMBL3873697 0.76 SSTR5 (0.45) SPHK1MAOBMAOAKCNH2
SCHEMBL7067317 0.76 FAAH (0.55) FAAHMGLLCCR8KCNH2
SCHEMBL14142405 0.74 GAA (0.46) SPHK1MAOBMAOA
SCHEMBL2852932 0.73 MAOB (0.47) SPHK1MAOBMAOA
SCHEMBL6505677 0.72 CCR8 (0.54) MGLLCCR8KMT2AMEN1KCNH2

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 FAAH 664/4885SPHK1 541/4885MGLL 997/4885

“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.