SCHEMBL9977845

SCHEMBL9977845

CC(C)(C)OC(=O)NCCn1ccc(-c2ccc(F)cn2)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.55
HCRTR2 O43614 13/20 0.55
SCN9A Q15858 1/20 0.42
DRD2 P14416 2/20 0.39
BRD4 O60885 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 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
SCHEMBL15327020 0.83 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL9977741 0.82 HCRTR1 (0.56) HCRTR1HCRTR2SCN9ADRD2CCNT1
SCHEMBL16812737 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL16812732 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL15604647 0.79 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL15604599 0.79 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL17274051 0.78 PDE10A (0.49) DRD2BRD4CKS1BSKP1SKP2
SCHEMBL9977899 0.78 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL9977806 0.76 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1632156 0.76 NAMPT (0.44) DRD2BRD4

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 2 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
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 HCRTR1 1/4885HCRTR2 2/4885SCN9A 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.