SCHEMBL442841

SCHEMBL442841

CC1CN(S(=O)(=O)c2ccccc2)CCC1C(=O)NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.50
HPGD P15428 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
USP5 P45974 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL440637 0.89 DGAT1 (0.53) DGAT1HPGDMAPT
SCHEMBL441311 0.87 HPGD (0.55) DGAT1HPGDMAPT
SCHEMBL441095 0.86 DGAT1 (0.54) DGAT1CHRM2CHRM5CHRM1CHRM3
SCHEMBL10279768 0.86 DGAT1 (0.55) DGAT1CHRM2CHRM5CHRM1CHRM3
SCHEMBL463426 0.83 DGAT1 (0.51) DGAT1CHRM2CHRM5CHRM1CHRM3
SCHEMBL439190 0.83 DGAT1 (0.51) DGAT1CHRM2CHRM5CHRM1CHRM3
SCHEMBL437430 0.82 DGAT1 (0.50) DGAT1CHRM2CHRM5CHRM1CHRM3
SCHEMBL440361 0.82 DGAT1 (0.52) DGAT1
SCHEMBL438032 0.81 DGAT1 (0.51) DGAT1HPGDUSP5
SCHEMBL437986 0.81 DGAT1 (0.55) DGAT1HPGDMAPT

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885HPGD 1034/4885CHRM2 4301/4885

“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.