SCHEMBL2201435

SCHEMBL2201435

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CCC(O)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
KMT2A Q03164 1/20 0.40
NOTUM Q6P988 1/20 0.39
HSD11B1 P28845 1/20 0.39
MGLL Q99685 1/20 0.38
MAPK7 Q13164 4/20 0.38
CCKAR P32238 1/20 0.37
OPRM1 P35372 1/20 0.36
CACNA2D1 P54289 1/20 0.36
MAPT P10636 1/20 0.36
CCR5 P51681 1/20 0.36
SLC5A1 P13866 2/20 0.36

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
SCHEMBL2201426 1.00 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201966 1.00 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201691 0.95 SCN9A (0.41) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL4351370 0.93 SCN9A (0.37) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL4352859 0.93 SCN9A (0.37) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201602 0.92 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2202064 0.92 KMT2A (0.49) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201084 0.92 KMT2A (0.49) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201088 0.92 KMT2A (0.49) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2202605 0.90 KMT2A (0.42) SCN9ASCN10AKMT2ANOTUMHSD11B1

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 8 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 claimed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP claimed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US claimed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO claimed
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
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 SCN9A 3692/4885SCN10A 3975/4885KMT2A 4057/4885

“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.