SCHEMBL6700940

SCHEMBL6700940

CC(C)(N)CNc1ccc(C(N)=O)cn1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.59
EPHX2 P34913 1/20 0.49
HCAR3 P49019 4/20 0.49
HCAR2 Q8TDS4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6698754 0.85 MAPK1 (0.50) NNMTHCAR3HCAR2
SCHEMBL29364292 0.84 HCAR3 (0.46) NNMTHCAR3HCAR2
SCHEMBL6700450 0.84 HCAR3 (0.46) NNMTHCAR3HCAR2
SCHEMBL6696009 0.82 HCAR3 (0.42) NNMTHCAR3HCAR2
SCHEMBL11546416 0.81 HCAR3 (0.73) NNMTEPHX2HCAR3HCAR2SMN1; SMN2
SCHEMBL2564435 0.80 NNMT (0.50) NNMTEPHX2HCAR3
SCHEMBL14185002 0.78 NNMT (0.67) NNMTEPHX2HCAR3SMN1; SMN2
SCHEMBL2746892 0.77 NNMT (0.61) NNMTEPHX2HCAR3SMN1; SMN2
SCHEMBL5205802 0.76 NNMT (0.60) NNMTEPHX2HCAR3SMN1; SMN2
SCHEMBL3132342 0.76 NNMT (0.59) NNMTEPHX2HCAR3HCAR2SMN1; SMN2

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 NNMT 2846/4885EPHX2 2259/4885HCAR3 1095/4885

“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.