SCHEMBL6520040

SCHEMBL6520040

CC1(C(=O)O)CCN(S(=O)(=O)c2ccccc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.55
FAAH O00519 5/20 0.52
CHRM4 P08173 3/20 0.51
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL8222878 0.84 CYP2D6 (0.48) CCR1MAPK1CYP2D6KMT2AHDAC3
SCHEMBL11888958 0.84 FAAH (0.53) CCR1FAAHCHRM4GAAMAPK1
SCHEMBL6520520 0.83 FAAH (0.52) CCR1FAAHCHRM4GAAMAPK1
SCHEMBL11889050 0.83 FAAH (0.52) CCR1FAAHCHRM4GAAMAPK1
SCHEMBL11888885 0.82 CCR1 (0.49) CCR1FAAHCHRM4GAAMAPK1
SCHEMBL6519705 0.82 CYP2D6 (0.71) MAPK1CYP2D6KMT2A
SCHEMBL6521612 0.81 FAAH (0.50) CCR1FAAHCHRM4GAAMAPK1
SCHEMBL2956787 0.78 CCR1 (0.65) CCR1FAAHCHRM4GAAMAPK1
SCHEMBL10723724 0.78 CHRM4 (0.64) FAAHCHRM4MAPK1KMT2AHDAC3
SCHEMBL744033 0.77 CCR1 (0.45) CCR1FAAHCHRM4GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP claimed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US claimed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP claimed
CN-102498099-A HSL inhibitors useful in the treatment of diabetes HOFFMANN LA ROCHE 2012-06-13 CN claimed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO claimed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US claimed
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
CN-102498099-A HSL inhibitors useful in the treatment of diabetes HOFFMANN LA ROCHE 2012-06-13 CN disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL CCR1 2540/4885FAAH 254/4885CHRM4 1434/4885

“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.