SCHEMBL12311368

SCHEMBL12311368

CNC(=O)CN1CCC(F)(F)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
HDAC4 P56524 1/20 0.34
GLS O94925 4/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 2/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL19010253 0.89 CHRM5 (0.40) HRH3CHRM5CHRM3ALDH1A1CYP2C19
SCHEMBL23822906 0.85 CHRM5 (0.34) GLSCHRM5CHRM3ALDH1A1CYP2C19
SCHEMBL17176291 0.81 PIK3R1 (0.38) CHRM5CHRM3PIK3R1PIK3CAALDH1A1
SCHEMBL12635250 0.79 HRH3 (0.38) HRH3HDAC4GLSPDCD1CD274
SCHEMBL19617492 0.79 HRH3 (0.38) HRH3HDAC4PDCD1CD274CYP3A4
SCHEMBL17173119 0.78 CHRM5 (0.35) CHRM5CHRM3PIK3R1PIK3CAALDH1A1
SCHEMBL17173121 0.78 CHRM5 (0.35) CHRM5CHRM3PIK3R1PIK3CAALDH1A1
SCHEMBL13275116 0.77 HSD17B10 (0.41) HRH3HDAC4PDCD1CD274
SCHEMBL1007612 0.76 KDM4E (0.44) HRH3CHRM3ALDH1A1POLB
SCHEMBL13149712 0.76 ALDH1A1 (0.53) HRH3ALDH1A1SMN1; SMN2POLB

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-8022059-B2 Indazole acrylic acid amide compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-20 US disclosed
US-8022059-B2 Indazole acrylic acid amide compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-20 US disclosed
US-20100256108-A1 INDAZOLE ACRYLIC ACID AMIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 US disclosed
US-20100256108-A1 INDAZOLE ACRYLIC ACID AMIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 US 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-20100256108-A1 INDAZOLE ACRYLIC ACID AMIDE COMPOUND KCNH2, KCNH3, KCNJ11 HRH3 148/4885HDAC4 821/4885GLS 1983/4885

“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.