SCHEMBL2201297

SCHEMBL2201297

O=C(c1c(C2CC2)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 11/20 0.43
L3MBTL1 Q9Y468 10/20 0.43
MAPK7 Q13164 1/20 0.42
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.41
NOTUM Q6P988 1/20 0.40
L3MBTL4 Q8NA19 2/20 0.40
TP53BP1 Q12888 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MBTD1 Q05BQ5 3/20 0.39

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
SCHEMBL2201185 0.91 MAPK7 (0.42) L3MBTL3L3MBTL1MAPK7HSD11B1MGLL
SCHEMBL2202253 0.90 L3MBTL3 (0.43) L3MBTL3L3MBTL1MAPK7HSD11B1MGLL
SCHEMBL2202605 0.88 KMT2A (0.42) L3MBTL3L3MBTL1MAPK7HSD11B1MGLL
SCHEMBL2202958 0.88 L3MBTL1 (0.44) L3MBTL3L3MBTL1L3MBTL4TP53BP1
SCHEMBL2201595 0.87 L3MBTL3 (0.43) L3MBTL3L3MBTL1TDP1MBTD1
SCHEMBL2202883 0.86 CYP2C9 (0.42) L3MBTL3L3MBTL1HSD11B1MGLLNOTUM
SCHEMBL2201876 0.86 SLC6A4 (0.38) L3MBTL3L3MBTL1MAPK7HSD11B1MGLL
SCHEMBL2203688 0.86 L3MBTL3 (0.39) L3MBTL3L3MBTL1MAPK7HSD11B1MGLL
SCHEMBL2201907 0.83 KMT2A (0.52) L3MBTL3L3MBTL1HSD11B1MGLLNOTUM
SCHEMBL2200707 0.82 KMT2A (0.52) L3MBTL3L3MBTL1HSD11B1MGLLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 L3MBTL3 4146/4885L3MBTL1 4149/4885MAPK7 1141/4885

“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.