SCHEMBL5021637

SCHEMBL5021637

CC1(NCc2cccnc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.64
GPR119 Q8TDV5 2/20 0.49
VNN1 O95497 2/20 0.49
CYP2C9 P11712 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
ACHE P22303 1/20 0.45
CYP3A4 P08684 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL16049766 0.81 NAMPT (0.59) NAMPTGPR119VNN1HDAC1HDAC6
SCHEMBL3661148 0.80 GPR119 (0.44) NAMPTGPR119
SCHEMBL23660646 0.80 NAMPT (0.58) NAMPTGPR119HDAC1HDAC6OPRD1
SCHEMBL30017841 0.80 NAMPT (0.58) NAMPTGPR119HDAC1HDAC6OPRD1
SCHEMBL2172491 0.80 NAMPT (0.63) NAMPTGPR119HDAC1HDAC6OPRD1
SCHEMBL20766101 0.80 HDAC2 (0.51) HDAC1JAK2JAK1
SCHEMBL22660467 0.79 NAMPT (0.57) NAMPTGPR119HDAC1HDAC6OPRD1
SCHEMBL13398040 0.79 NAMPT (0.60) NAMPTGPR119CYP2C9
SCHEMBL25596625 0.79 NAMPT (0.57) NAMPTGPR119VNN1HDAC1HDAC6
SCHEMBL22660803 0.79 NAMPT (0.57) NAMPTGPR119HDAC1HDAC6OPRD1

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-8318940-B2 Naphthyridin-2 (1 H)-one compounds useful as antibacterials GLAXO GROUP LIMITED (GB) 2012-11-27 US disclosed
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2012-05-10 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 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-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS RIF1, MRPL21, NAT1 NAMPT 153/4885GPR119 2567/4885VNN1 443/4885
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS NAT1, RIF1, MRPL21 NAMPT 621/4885GPR119 2610/4885VNN1 612/4885

“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.