SCHEMBL2201876

SCHEMBL2201876

CC(=O)NCc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
L3MBTL3 Q96JM7 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
DDR1 Q08345 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 1/20 0.37
MCHR1 Q99705 1/20 0.37
MGLL Q99685 1/20 0.36
MAPK7 Q13164 1/20 0.36
ACACB O00763 1/20 0.36
PIM1 P11309 1/20 0.36
NOTUM Q6P988 1/20 0.35
TACR1 P25103 1/20 0.35
NPY5R Q15761 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
SCHEMBL2201297 0.86 L3MBTL3 (0.43) L3MBTL3L3MBTL1SCN9ASCN10AHSD11B1
SCHEMBL2202253 0.85 L3MBTL3 (0.43) L3MBTL3L3MBTL1SCN9ASCN10ACYP2D6
SCHEMBL2202605 0.83 KMT2A (0.42) L3MBTL3L3MBTL1SCN9ASCN10ACYP2D6
SCHEMBL2199120 0.82 NPY5R (0.41) SCN9ANPSR1ACACBPIM1NOTUM
SCHEMBL2201185 0.81 MAPK7 (0.42) L3MBTL3L3MBTL1SCN9ACYP2D6CYP2C19
SCHEMBL2202883 0.80 CYP2C9 (0.42) L3MBTL3L3MBTL1SCN9ASCN10AHSD11B1
SCHEMBL2203688 0.79 L3MBTL3 (0.39) L3MBTL3L3MBTL1SCN9ASCN10AHSD11B1
SCHEMBL2201907 0.78 KMT2A (0.52) L3MBTL3L3MBTL1SCN9ACYP2D6CYP2C19
SCHEMBL2201296 0.78 SMPD3 (0.41) SCN9ASCN10AHSD11B1MGLLMAPK7
SCHEMBL2202124 0.78 SMPD3 (0.41) SCN9ASCN10AHSD11B1MGLLMAPK7

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 6 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
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 SLC6A4 3118/4885HRH3 108/4885L3MBTL3 4146/4885

“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.