SCHEMBL2201602

SCHEMBL2201602

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CCC(C)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
TP53 P04637 1/20 0.40
NOTUM Q6P988 1/20 0.39
HSD11B1 P28845 1/20 0.39
CCKAR P32238 1/20 0.38
MGLL Q99685 1/20 0.38
MAPK7 Q13164 4/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 1/20 0.36
ADRA1A P35348 1/20 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
SCHEMBL2201435 0.92 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201966 0.92 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201426 0.92 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2199358 0.92 KMT2A (0.49) SCN9ASCN10AKMT2ATP53NOTUM
SCHEMBL2201691 0.90 SCN9A (0.41) SCN9ASCN10AKMT2ATP53NOTUM
SCHEMBL2202253 0.90 L3MBTL3 (0.43) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2202605 0.90 KMT2A (0.42) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201296 0.89 SMPD3 (0.41) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201293 0.89 SMPD3 (0.41) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2202124 0.89 SMPD3 (0.41) 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 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 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.