SCHEMBL452183

SCHEMBL452183

CC(C)(C)OC(=O)c1cc(Cl)c2nnc(-c3ccccn3)n2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 4/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
RAB9A P51151 3/20 0.36
PAX8 Q06710 1/20 0.36
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
DCTPP1 Q9H773 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
SCHEMBL454107 0.84 BRD9 (0.40) NPSR1ALDH1A1MAPTPDE2A
SCHEMBL454669 0.82 SQOR (0.41) TACR3L3MBTL1NPSR1ALDH1A1MAPT
SCHEMBL20620218 0.70 KDM4E (0.60) NPC1SMN1; SMN2
SCHEMBL20620216 0.70 KDM4E (0.49) L3MBTL1NPC1TP53SMN1; SMN2
SCHEMBL23550669 0.69 L3MBTL1 (0.37) L3MBTL1NPSR1ALDH1A1MAPTNPC1
SCHEMBL455880 0.69 BRD9 (0.38) ALDH1A1MAPTNPC1SMN1; SMN2PDE2A
SCHEMBL454321 0.67 MAOB (0.35) KMT2A
SCHEMBL23550099 0.67 RXFP1 (0.42) L3MBTL1NPSR1ALDH1A1MAPTTSHR
SCHEMBL476531 0.67 ABL1 (0.41) ALDH1A1MAPTNPC1TSHRSMN1; SMN2
SCHEMBL30808571 0.65 APLNR (0.46) TACR3L3MBTL1NPSR1ALDH1A1NPC1

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 TACR3 87/4885L3MBTL1 3238/4885NPSR1 74/4885

“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.