SCHEMBL2201595

SCHEMBL2201595

O=C(c1c(C2CC2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.43
L3MBTL1 Q9Y468 6/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MBTD1 Q05BQ5 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL2202958 0.99 L3MBTL1 (0.44) L3MBTL3L3MBTL1ALDH1A1LMNATSHR
SCHEMBL2201538 0.92 ALDH1A1 (0.42) L3MBTL1ALDH1A1LMNATSHRHTT
SCHEMBL2201524 0.92 TSHR (0.46) L3MBTL1ALDH1A1LMNATSHRHTT
SCHEMBL2202061 0.91 ALDH1A1 (0.43) L3MBTL3L3MBTL1ALDH1A1LMNATSHR
SCHEMBL2201653 0.91 KMT2A (0.41) L3MBTL1ALDH1A1LMNATSHRHTT
SCHEMBL2199954 0.89 KMT2A (0.44) L3MBTL3L3MBTL1ALDH1A1LMNATSHR
SCHEMBL2201156 0.89 KMT2A (0.45) L3MBTL3L3MBTL1ALDH1A1LMNATSHR
SCHEMBL2201297 0.87 L3MBTL3 (0.43) L3MBTL3L3MBTL1TDP1MBTD1
SCHEMBL12429747 0.85 CYP2C9 (0.42) L3MBTL3L3MBTL1ALDH1A1LMNATSHR
SCHEMBL2200200 0.85 TSHR (0.44) L3MBTL3L3MBTL1ALDH1A1LMNATSHR

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
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
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 4149/4885ALDH1A1 1476/4885

“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.