SCHEMBL13645921

SCHEMBL13645921

CC(=O)NC(C)CCN(C)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.36
MTNR1A P48039 6/20 0.35
MTNR1B P49286 6/20 0.35
ALDH1A1 P00352 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
CHRM1 P11229 1/20 0.32

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
SCHEMBL13645924 0.89 TRPV1 (0.35) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL15830066 0.85 CHRM1 (0.31) CHRM1
SCHEMBL13780653 0.83 ACACB (0.37) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL13780656 0.82 ALDH1A1 (0.38) ALDH1A1CHRM1
SCHEMBL13780937 0.80 ACACB (0.36) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL20014334 0.80 CHRM1 (0.32) CHRM1
SCHEMBL21513624 0.79 ACACB (0.37) ACACBMTNR1AMTNR1BALDH1A1CHRM1
SCHEMBL13780652 0.78 CHRNB2 (0.33) ALDH1A1
SCHEMBL13645919 0.78 CTSK (0.40) ACACBMTNR1AMTNR1B
SCHEMBL12384299 0.76 ALDH1A1 (0.38) ALDH1A1CHRM1

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-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ACACB 4200/4885MTNR1A 2091/4885MTNR1B 2099/4885

“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.