SCHEMBL2203785

SCHEMBL2203785

COCc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(COC)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 12/20 0.38
L3MBTL1 Q9Y468 10/20 0.38
NPY1R P25929 2/20 0.38
L3MBTL4 Q8NA19 2/20 0.37
MBTD1 Q05BQ5 3/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53BP1 Q12888 2/20 0.35
HRH3 Q9Y5N1 2/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL2203777 1.00 L3MBTL3 (0.38) L3MBTL3L3MBTL1NPY1RL3MBTL4MBTD1
SCHEMBL2202799 0.88 L3MBTL3 (0.41) L3MBTL3L3MBTL1NPY1RL3MBTL4MBTD1
SCHEMBL2202806 0.88 L3MBTL3 (0.41) L3MBTL3L3MBTL1NPY1RL3MBTL4MBTD1
SCHEMBL13973766 0.85 ABCB1 (0.36)
SCHEMBL2199721 0.84 MALT1 (0.37)
SCHEMBL2199019 0.83 PARP1 (0.35) MEN1KMT2A
SCHEMBL2199024 0.83 PARP1 (0.35) MEN1KMT2A
SCHEMBL2198805 0.81 PPP1CA (0.36) L3MBTL1
SCHEMBL2201272 0.81 DRD2 (0.38) CYP2C19MEN1KMT2A
SCHEMBL2198812 0.81 PPP1CA (0.36) L3MBTL1

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 L3MBTL3 4146/4885L3MBTL1 4149/4885NPY1R 359/4885

“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.