SCHEMBL2198724

SCHEMBL2198724

Cc1c(C(=O)N2CCC(N3CCCC3)CC2)nn(C)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 9/20 0.45
L3MBTL3 Q96JM7 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TACR2 P21452 1/20 0.43
TACR3 P29371 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL1421384 0.80 GRIN2B (0.52) L3MBTL3L3MBTL1KCNH2IRAK4ACACB
SCHEMBL1420987 0.79 TRPV4 (0.43) TRPV4L3MBTL3L3MBTL1TACR2TACR3
SCHEMBL1421156 0.79 IRAK4 (0.45) TRPV4L3MBTL3L3MBTL1TACR2TACR3
SCHEMBL1083720 0.79 L3MBTL3 (0.53) L3MBTL3L3MBTL1LMNAPOLBHPGD
SCHEMBL1083719 0.78 CCR5 (0.51) TRPV4L3MBTL3L3MBTL1IRAK4LMNA
SCHEMBL1421105 0.78 GRIN2B (0.50) L3MBTL3L3MBTL1KCNH2
SCHEMBL1720347 0.78 L3MBTL3 (0.46) TRPV4L3MBTL3L3MBTL1IRAK4ACACB
SCHEMBL1421253 0.78 IRAK4 (0.42) TRPV4L3MBTL3L3MBTL1TACR2TACR3
SCHEMBL1422960 0.78 L3MBTL3 (0.45) TRPV4L3MBTL3L3MBTL1TACR2TACR3
SCHEMBL1420845 0.78 IRAK4 (0.44) TRPV4L3MBTL3L3MBTL1TACR2TACR3

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 9 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
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP 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
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 TRPV4 173/4885L3MBTL3 4146/4885L3MBTL1 4149/4885

“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.