SCHEMBL17628334

SCHEMBL17628334

CC(=O)N[C@H]1CCN(c2nc(Cl)nc3ccccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.52
OPRD1 P41143 3/20 0.52
OPRK1 P41145 3/20 0.52
OGFRL1 Q5TC84 3/20 0.52
SMPD3 Q9NY59 1/20 0.48
CNR2 P34972 7/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
PRKDC P78527 1/20 0.45
AKT1 P31749 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
DYRK3 O43781 1/20 0.43
PIM3 Q86V86 1/20 0.43
SRPK1 Q96SB4 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43

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
SCHEMBL17628336 1.00 OPRM1 (0.52) OPRM1OPRD1OPRK1OGFRL1SMPD3
SCHEMBL17628115 0.93 PRKDC (0.51) OPRM1OPRD1OPRK1OGFRL1SMPD3
SCHEMBL17628114 0.93 PRKDC (0.51) OPRM1OPRD1OPRK1OGFRL1SMPD3
SCHEMBL26911669 0.91 OPRM1 (0.49) OPRM1OPRD1OPRK1OGFRL1SMPD3
SCHEMBL17628384 0.87 PRKDC (0.47) OPRM1OPRD1OPRK1OGFRL1SMPD3
SCHEMBL17628385 0.87 PRKDC (0.47) OPRM1OPRD1OPRK1OGFRL1SMPD3
SCHEMBL17628041 0.85 PDE10A (0.56) OPRM1OPRD1OPRK1OGFRL1CNR2
SCHEMBL17628044 0.85 PDE10A (0.56) OPRM1OPRD1OPRK1OGFRL1CNR2
SCHEMBL30377235 0.85 PDE10A (0.56) OPRM1OPRD1OPRK1OGFRL1CNR2
SCHEMBL17628086 0.85 SMPD3 (0.46) OPRM1OPRD1OPRK1OGFRL1SMPD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152241-A9 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR YUHAN CORPORATION (KR) 2017-06-01 US disclosed
EP-3006439-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR Yuhan Corporation (KR) 2016-04-13 EP disclosed
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR YUHAN CORP (KR) 2016-03-31 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 (2 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-20170152241-A9 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 OPRM1 769/4885OPRD1 623/4885OPRK1 977/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 OPRM1 769/4885OPRD1 623/4885OPRK1 977/4885

“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.