SCHEMBL9977832

SCHEMBL9977832

CC(C)(C)OC(=O)NCCn1cc(-c2ccc(F)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.42
AR P10275 2/20 0.42
SCN9A Q15858 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
DRD2 P14416 2/20 0.41
PDK2 Q15119 1/20 0.41
FGFR1 P11362 1/20 0.41
RET P07949 1/20 0.40
GRM2 Q14416 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9977741 0.87 HCRTR1 (0.56) SCN9AHCRTR1HCRTR2GSK3BDYRK1A
SCHEMBL31370769 0.82 KCNH2 (0.42) ARGSK3BDYRK1ADRD2ACACB
SCHEMBL15327008 0.81 HCRTR1 (0.46) CREBBPARHCRTR1HCRTR2PDK2
SCHEMBL17998112 0.80 CACNA1G (0.49) DRD2
SCHEMBL15936752 0.80 PDK2 (0.46) CREBBPSCN9ADRD2PDK2POLB
SCHEMBL15604589 0.80 HCRTR1 (0.43) CREBBPARSCN9AHCRTR1HCRTR2
SCHEMBL17454460 0.79 L3MBTL1 (0.41) SCN9ADRD2GAAMALT1
SCHEMBL18764806 0.79 L3MBTL1 (0.55) DRD2GAAMALT1
SCHEMBL13975444 0.79 LMNA (0.47) DRD2GAAMALT1SMN1; SMN2
SCHEMBL31436567 0.78 ALOX5AP (0.42) ARSCN9AHCRTR1HCRTR2GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
WO-2012081692-A1 PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-06-21 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-20130281465-A1 PYRAZOLE DERIVATIVE HCRTR1, HCRTR2, NPY4R CREBBP 416/4885AR 1428/4885SCN9A 483/4885

“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.