SCHEMBL2200007

SCHEMBL2200007

CC(=O)NC1CCN(C2CCN(C(=O)c3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C3CC3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CCR2 P41597 6/20 0.41
ELANE P08246 2/20 0.41
KCNH2 Q12809 1/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.38
SMPD3 Q9NY59 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2201634 1.00 LMNA (0.41) LMNACCR2ELANEKCNH2EPHX2
SCHEMBL2200004 1.00 LMNA (0.41) LMNACCR2ELANEKCNH2EPHX2
SCHEMBL2201293 0.90 SMPD3 (0.41) EPHX2KMT2ASMPD3
SCHEMBL2202124 0.90 SMPD3 (0.41) EPHX2KMT2ASMPD3
SCHEMBL2201296 0.90 SMPD3 (0.41) EPHX2KMT2ASMPD3
SCHEMBL2199414 0.89 KMT2A (0.41) LMNAELANEKMT2APOLBTSHR
SCHEMBL2199418 0.89 KMT2A (0.41) LMNAELANEKMT2APOLBTSHR
SCHEMBL2200674 0.89 KMT2A (0.41) LMNAELANEKMT2APOLBTSHR
SCHEMBL12510546 0.87 LMNA (0.40) LMNAELANEEPHX2KMT2APOLB
SCHEMBL2201156 0.87 KMT2A (0.45) LMNAKMT2APOLBTSHRMEN1

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 LMNA 4701/4885CCR2 5/4885ELANE 791/4885

“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.