SCHEMBL13645963

SCHEMBL13645963

CC(=O)NC(C)CCC(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.36
ALDH1A1 P00352 2/20 0.36
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
PIK3CD O00329 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL10577149 0.90 KCNH3 (0.38) ACACBALDH1A1MTNR1AMTNR1BTRPV1
SCHEMBL5793891 0.73 KCNH3 (0.41) ACACBALDH1A1PIK3CD
SCHEMBL21452443 0.73 ACACB (0.36) ACACBALDH1A1MTNR1AMTNR1BTRPV1
SCHEMBL13645927 0.73 ALDH1A1 (0.42) ACACBALDH1A1MTNR1AMTNR1BTRPV1
SCHEMBL15113029 0.73 TAS1R3 (0.36) ACACBALDH1A1MTNR1AMTNR1BTRPV1
SCHEMBL18520329 0.73
SCHEMBL10273871 0.73 ALDH1A1 (0.43) ALDH1A1PIK3CD
SCHEMBL13645890 0.73 TAS1R3 (0.47) ACACBALDH1A1MTNR1AMTNR1B
SCHEMBL7890560 0.73
SCHEMBL8435514 0.73

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 4200/4885ALDH1A1 208/4885MTNR1A 2091/4885

“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.