SCHEMBL452218

SCHEMBL452218

Cc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)c3oc(C(C)C)nc3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
DGAT2 Q96PD7 1/20 0.38
RIPK1 Q13546 1/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KCNT1 Q5JUK3 2/20 0.35
PDE2A O00408 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35
KCNQ1 P51787 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
KCNMB1 Q16558 1/20 0.35
KCNT2 Q6UVM3 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL456434 0.85 DGAT2 (0.38) RAB9AKMT2ANPC1MEN1DGAT2
SCHEMBL454330 0.79 RAB9A (0.45) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL454487 0.79 RAB9A (0.45) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL453626 0.77 ABL1 (0.44) DGAT2RIPK1TP53SMN1; SMN2KCNT1
SCHEMBL2260453 0.76 CTSA (0.47) DGAT2RIPK1ROCK2ROCK1
SCHEMBL2260839 0.76 RIPK1 (0.43) KMT2ADGAT2RIPK1TP53SMN1; SMN2
SCHEMBL454322 0.74 DGAT2 (0.40) DGAT2RIPK1KCNT1ROCK2KCNQ1
SCHEMBL2265558 0.73 RIPK1 (0.41) KMT2ADGAT2RIPK1TP53SMN1; SMN2
SCHEMBL2260981 0.73 RIPK1 (0.41) KMT2ADGAT2RIPK1TP53SMN1; SMN2
SCHEMBL2265056 0.73 RIPK1 (0.41) KMT2ADGAT2RIPK1TP53SMN1; SMN2

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 5 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
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
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 RAB9A 3699/4885KMT2A 4191/4885NPC1 3891/4885

“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.