SCHEMBL10322683

SCHEMBL10322683

NC1(c2ccccc2)CCN(C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
HSD11B1 P28845 3/20 0.46
KMT2A Q03164 2/20 0.44
TET3 O43151 1/20 0.44
FBXL19 Q6PCT2 1/20 0.44
CXXC5 Q7LFL8 1/20 0.44
TET1 Q8NFU7 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
CXXC4 Q9H2H0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
AKR1C1 Q04828 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
SCHEMBL10282915 0.86 USP2 (0.55) OPRM1KMT2AMEN1SMN1; SMN2
SCHEMBL9052325 0.85 OPRM1 (0.58) OPRM1HSD11B1KMT2ATET3FBXL19
SCHEMBL4662764 0.84 CA12 (0.43) OPRM1CA12CA1CA2CA7
SCHEMBL23647568 0.82 CNR2 (0.43) OPRM1HSD11B1KMT2AMEN1CA12
SCHEMBL23852239 0.82 ALDH1A1 (0.43) OPRM1HSD11B1CA12CA1CA2
SCHEMBL6159810 0.82 OPRM1 (0.42) OPRM1HSD11B1KMT2ATET3FBXL19
SCHEMBL19331351 0.81 OPRM1 (0.42) OPRM1HSD11B1KMT2AMEN1AKR1C1
SCHEMBL23647557 0.80 KMT2A (0.51) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL795975 0.79 ALDH1A1 (0.56) OPRM1HSD11B1KMT2AMEN1CA12
SCHEMBL22874143 0.79 APP (0.56) OPRM1

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
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD OPRM1 4709/4885HSD11B1 2832/4885KMT2A 2283/4885

“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.