SCHEMBL6701100

SCHEMBL6701100

CC(C)(N)CNNc1cc(Cl)ncn1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL6696015 0.83 NPC1 (0.40) NPC1MEN1KMT2AAAK1
SCHEMBL15356370 0.73 HRH4 (0.51) NPC1MEN1KMT2A
SCHEMBL2174911 0.70 NPC1 (0.45) NPC1MEN1KMT2A
SCHEMBL12705673 0.69 GAA (0.43) NPC1MEN1KMT2AAAK1
SCHEMBL29382825 0.67
SCHEMBL564890 0.67
SCHEMBL30044827 0.67
SCHEMBL374406 0.67
SCHEMBL374260 0.66 EGFR (0.53) NPC1MEN1KMT2A
SCHEMBL602892 0.66 MEN1 (0.41) NPC1MEN1KMT2A

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 NPC1 700/4885MEN1 3315/4885KMT2A 4164/4885

“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.