SCHEMBL2201008

SCHEMBL2201008

Cc1c(C(=O)N2CCC(N3CCC[C@H]3CO)CC2)c(-c2cncnc2)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 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
SCHEMBL2201010 1.00 TRPV1 (0.39) TRPV1KMT2AMEN1ALDH1A1POLB
SCHEMBL2201211 0.92 TRPV1 (0.41) TRPV1KMT2AMEN1ALDH1A1POLB
SCHEMBL2201207 0.92 TRPV1 (0.41) TRPV1KMT2AMEN1ALDH1A1POLB
SCHEMBL13973497 0.89 KMT2A (0.39) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL2201696 0.87 SPR (0.34)
SCHEMBL2201690 0.87 SPR (0.34)
SCHEMBL2198588 0.87 KMT2A (0.43) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL2200263 0.82 TRPV1 (0.40) TRPV1KMT2AMEN1ALDH1A1POLB
SCHEMBL2200270 0.82 TRPV1 (0.40) TRPV1KMT2AMEN1ALDH1A1POLB
SCHEMBL2198775 0.81 KMT2A (0.36) KMT2A

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
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
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 TRPV1 148/4885KMT2A 4057/4885MEN1 4450/4885

“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.