SCHEMBL2201212

SCHEMBL2201212

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CCCC2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
KMT2A Q03164 1/20 0.40
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
HSD11B1 P28845 1/20 0.39
MGLL Q99685 1/20 0.38
MAPK7 Q13164 4/20 0.38
NOTUM Q6P988 1/20 0.38
MAPT P10636 1/20 0.36
CCR5 P51681 1/20 0.36
SLC5A1 P13866 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
SCHEMBL2202721 0.92 KMT2A (0.49) HRH3KMT2ASCN9ASCN10AHSD11B1
SCHEMBL2198832 0.90 SCN9A (0.39) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2201309 0.90 SCN9A (0.39) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2198840 0.90 SCN9A (0.39) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL13973649 0.88 KMT2A (0.40) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2202605 0.88 KMT2A (0.42) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2202253 0.88 L3MBTL3 (0.43) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2202132 0.88 KMT2A (0.40) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2200049 0.88 KMT2A (0.40) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2198057 0.88 KMT2A (0.40) KMT2ASCN9ASCN10AHSD11B1MGLL

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 HRH3 108/4885KMT2A 4057/4885SCN9A 3692/4885

“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.