SCHEMBL456080

SCHEMBL456080

Cc1noc([C@@H](C)OC(=O)c2cc(O)c(N)c(-c3ccc(F)cc3)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
DPP4 P27487 2/20 0.34
ROCK2 O75116 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
MET P08581 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
KCNH2 Q12809 1/20 0.33
GRM2 Q14416 1/20 0.33
HPGD P15428 1/20 0.33
GRM5 P41594 2/20 0.32
RELA Q04206 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
FBP1 P09467 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL456081 1.00 LMNA (0.35) LMNAIKBKBCHUKDPP4ROCK2
SCHEMBL454622 0.81 RAB9A (0.35) DPP4ROCK2DGAT2MAPTGRM5
SCHEMBL454621 0.81 RAB9A (0.35) DPP4ROCK2DGAT2MAPTGRM5
SCHEMBL452184 0.74 PTGS1 (0.49) LMNAIKBKBCHUKKDM4EMAPT
SCHEMBL451654 0.69 BCL2L1 (0.50) LMNAIKBKBCHUKDPP4KDM4E
SCHEMBL2260453 0.67 CTSA (0.47) ROCK2DGAT2
SCHEMBL2260839 0.65 RIPK1 (0.43) ROCK2DGAT2KCNH2SMN1; SMN2KMT2A
SCHEMBL452218 0.64 RAB9A (0.39) ROCK2DGAT2KCNH2NPC1RAB9A
SCHEMBL456434 0.64 DGAT2 (0.38) ROCK2DGAT2KCNH2NPC1RAB9A
SCHEMBL452451 0.63 KDM4E (0.52) LMNAIKBKBKDM4EMAPTHPGD

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-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 LMNA 4068/4885IKBKB 1205/4885CHUK 661/4885

“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.