SCHEMBL2199993

SCHEMBL2199993

CCN(CC)C1CCN(C(=O)c2cc(-c3ccccc3-c3cc4ccccc4o3)nn2C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
POLR1A O95602 1/20 0.42
EIF4E P06730 3/20 0.41
KCNH2 Q12809 3/20 0.41
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK1 P23458 1/20 0.37

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
SCHEMBL2199991 0.88 HTR2A (0.43) HTR2AHTR2CPOLR1AEIF4EKCNH2
SCHEMBL2202913 0.85 POLR1A (0.42) POLR1AEIF4EKCNH2MKNK1MKNK2
SCHEMBL2198058 0.83 POLR1A (0.41) HTR2CPOLR1AEIF4EKCNH2MKNK1
SCHEMBL3689666 0.83 POLR1A (0.41) HTR2CPOLR1AEIF4EKCNH2MKNK1
SCHEMBL2230937 0.81 HTR2A (0.43) HTR2AHTR2CEIF4EKCNH2MKNK1
SCHEMBL2200044 0.78 POLR1A (0.43) HTR2CPOLR1AEIF4EKCNH2MKNK1
SCHEMBL2202912 0.77 KDM1A (0.42) POLR1AEIF4EKCNH2MKNK1MKNK2
SCHEMBL3643053 0.76 HTR2A (0.50) HTR2AHTR2CEIF4EMKNK1MKNK2
SCHEMBL2198055 0.76 POLR1A (0.41) POLR1AEIF4EKCNH2MKNK1MKNK2
SCHEMBL2230472 0.76 POLR1A (0.41) POLR1AEIF4EKCNH2MKNK1MKNK2

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 4 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
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 HTR2A 1537/4885HTR2C 602/4885POLR1A 1494/4885

“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.