SCHEMBL17628467

SCHEMBL17628467

CC(=O)NC1CCN(c2nc(Cl)nc3c2CCCC3)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.53
AKT1 P31749 1/20 0.45
CNR2 P34972 8/20 0.42
CFTR P13569 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OGFRL1 Q5TC84 2/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
SMPD3 Q9NY59 1/20 0.41
DYRK3 O43781 1/20 0.39
PIM3 Q86V86 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL17628466 1.00 HRH4 (0.53) HRH4AKT1CNR2CFTROPRM1
SCHEMBL17628108 0.98 HRH4 (0.53) HRH4AKT1CNR2CFTROPRM1
SCHEMBL17628110 0.98 HRH4 (0.53) HRH4AKT1CNR2CFTROPRM1
SCHEMBL17628039 0.94 HRH4 (0.46) HRH4AKT1CNR2CFTROPRM1
SCHEMBL17628042 0.94 HRH4 (0.46) HRH4AKT1CNR2CFTROPRM1
SCHEMBL17628231 0.92 HRH4 (0.46) HRH4AKT1CNR2OPRM1OPRD1
SCHEMBL17628230 0.92 HRH4 (0.46) HRH4AKT1CNR2OPRM1OPRD1
SCHEMBL17628082 0.87 HRH4 (0.51) HRH4AKT1OPRM1OPRK1OGFRL1
SCHEMBL17628388 0.85 JAK3 (0.48) HRH4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL17628389 0.85 JAK3 (0.48) HRH4OPRM1OPRD1OPRK1OGFRL1

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 HRH4 4/4885AKT1 2912/4885CNR2 660/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 HRH4 4/4885AKT1 2912/4885CNR2 660/4885

“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.