SCHEMBL16406151

SCHEMBL16406151

CP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ccnc32)C(O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 9/20 0.66
P2RX3 P56373 5/20 0.66
P2RY2 P41231 3/20 0.66
P2RX1 P51575 3/20 0.66
P2RX2 Q9UBL9 2/20 0.66
ALDH1A1 P00352 2/20 0.66
SRC P12931 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
P2RX4 Q99571 2/20 0.66
TRPM2 O94759 2/20 0.62
MACROD2 A1Z1Q3 1/20 0.62
SIRT6 Q8N6T7 1/20 0.62
MACROD1 Q9BQ69 1/20 0.62
ENPP1 P22413 2/20 0.59
P2RY12 Q9H244 1/20 0.59
P2RY11 Q96G91 2/20 0.58
DNPH1 O43598 1/20 0.58
PRKAB2 O43741 1/20 0.58
LDHA P00338 1/20 0.58
ADRB2 P07550 1/20 0.58

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
SCHEMBL16406701 1.00 P2RY1 (0.66) P2RY1P2RX3P2RY2P2RX1P2RX2
SCHEMBL16406148 0.93 P2RX3 (0.71) P2RY1P2RX3P2RY2P2RX1P2RX2
SCHEMBL16406702 0.93 P2RX3 (0.71) P2RY1P2RX3P2RY2P2RX1P2RX2
SCHEMBL16406149 0.93 P2RX3 (0.71) P2RY1P2RX3P2RY2P2RX1P2RX2
SCHEMBL18269535 0.92 P2RX3 (0.73) P2RY1P2RX3P2RY2P2RX1P2RX2
SCHEMBL10047768 0.91 P2RY1 (0.63) P2RY1P2RX3P2RY2P2RX1P2RX2
SCHEMBL14928636 0.88 DNPH1 (0.73) P2RY1P2RX3P2RY2P2RX1P2RX2
SCHEMBL15249230 0.88 DNPH1 (0.73) P2RY1P2RX3P2RY2P2RX1P2RX2
SCHEMBL16408487 0.86 P2RY1 (0.89) P2RY1P2RX3P2RY2P2RX1P2RX2
SCHEMBL21281726 0.86 P2RY1 (0.89) P2RY1P2RX3P2RY2P2RX1P2RX2

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-9439920-B2 Composition for the management of nausea and vomiting DUCHESNAY INC. (CA) 2016-09-13 US disclosed
US-20150025033-A1 Composition for the management of nausea and vomiting DUCHESNAY INC. (CA) 2015-01-22 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-20150025033-A1 Composition for the management of nausea and vomiting CYP4F3, CYP2C19, SLC19A1 P2RY1 653/4885P2RX3 223/4885P2RY2 888/4885

“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.