SCHEMBL2265056

SCHEMBL2265056

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
DGAT2 Q96PD7 1/20 0.40
KCNT1 Q5JUK3 7/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDH1 O75874 3/20 0.37
KCNQ1 P51787 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
KCNMB1 Q16558 1/20 0.37
KCNT2 Q6UVM3 1/20 0.37
PDE2A O00408 1/20 0.36
PIK3CA P42336 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2260981 1.00 RIPK1 (0.41) RIPK1DGAT2KCNT1TP53SMN1; SMN2
SCHEMBL2265558 1.00 RIPK1 (0.41) RIPK1DGAT2KCNT1TP53SMN1; SMN2
SCHEMBL2260839 0.91 RIPK1 (0.43) RIPK1DGAT2KCNT1TP53SMN1; SMN2
SCHEMBL22892092 0.84 KCNJ1 (0.41) TP53SMN1; SMN2PIK3CAKMT2A
SCHEMBL2262185 0.80 RIPK1 (0.43) RIPK1DGAT2KCNT1TP53SMN1; SMN2
SCHEMBL2259172 0.76 BCL2L1 (0.40) PIK3CAKMT2A
SCHEMBL2260734 0.75 PTGS1 (0.42) PIK3CAKMT2A
SCHEMBL454322 0.75 DGAT2 (0.40) RIPK1DGAT2KCNT1KCNQ1KCNH2
SCHEMBL454067 0.75 GRIN1 (0.40) RIPK1DGAT2KCNT1TP53SMN1; SMN2
SCHEMBL13365554 0.75 KCNJ1 (0.44) TP53SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 EP claimed
US-8598209-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-12-03 US claimed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US claimed
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-2860178-A2 P2X3 receptor antagonists for treatment of pain Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
EP-2860178-A2 P2X3 receptor antagonists for treatment of pain Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
US-8598209-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-12-03 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 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-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 RIPK1 1316/4885DGAT2 4151/4885KCNT1 632/4885

“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.