SCHEMBL15280834

SCHEMBL15280834

CC(C)(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)C1OP(O)(=S)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.55
P2RY1 P47900 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
P2RY2 P41231 3/20 0.55
P2RY11 Q96G91 2/20 0.55
SRC P12931 2/20 0.55
DNPH1 O43598 1/20 0.55
PRKAB2 O43741 1/20 0.55
TRPM2 O94759 1/20 0.55
LDHA P00338 1/20 0.55
ADRB2 P07550 1/20 0.55
FBP1 P09467 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PDE4D Q08499 1/20 0.55
KCNH2 Q12809 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PDE3A Q14432 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55

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
SCHEMBL22292289 1.00 ADORA1 (0.55) ADORA1P2RY1SMN1; SMN2P2RY2P2RY11
SCHEMBL19887061 1.00 ADORA1 (0.55) ADORA1P2RY1SMN1; SMN2P2RY2P2RY11
SCHEMBL15280878 0.92 RNASEL (0.60) ADORA1P2RY1SMN1; SMN2P2RY2P2RY11
SCHEMBL22292292 0.92 RNASEL (0.60) ADORA1P2RY1SMN1; SMN2P2RY2P2RY11
SCHEMBL19887071 0.92 RNASEL (0.60) ADORA1P2RY1SMN1; SMN2P2RY2P2RY11
SCHEMBL19887018 0.91 ADORA1 (0.51) ADORA1P2RY1SMN1; SMN2P2RY2P2RY11
SCHEMBL22060520 0.91 ADORA1 (0.51) ADORA1P2RY1SMN1; SMN2P2RY2P2RY11
SCHEMBL15280780 0.91 ADORA1 (0.51) ADORA1P2RY1SMN1; SMN2P2RY2P2RY11
SCHEMBL19522844 0.91 ADORA1 (0.55) ADORA1P2RY1SMN1; SMN2P2RY2P2RY11
SCHEMBL15280876 0.88 ADORA1 (0.51) ADORA1P2RY1SMN1; SMN2P2RY2P2RY11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9803199-B2 Cationic lipid DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-10-31 US disclosed
US-20160257951-A1 NOVEL LIPID DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-08 US disclosed
US-8987226-B2 Modified single-stranded polynucleotides DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-24 US disclosed
US-20130253038-A1 Modified Single-Stranded Polynucleotide DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-26 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-20160257951-A1 NOVEL LIPID NPC1L1, CETP, LIPC ADORA1 1034/4885P2RY1 1522/4885SMN1; SMN2 4708/4885

“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.