SCHEMBL3071009

SCHEMBL3071009

Cc1ccc(-c2cc(C(=O)N[C@H](C)c3nc[nH]n3)cc(N3CCOCC3)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.47
P2RX2 Q9UBL9 5/20 0.47
RAF1 P04049 6/20 0.39
BRAF P15056 5/20 0.39
WDR5 P61964 1/20 0.39
PLAU P00749 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK14 Q16539 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
SCHEMBL3805195 1.00 P2RX3 (0.47) P2RX3P2RX2RAF1BRAFWDR5
SCHEMBL13095560 0.84 P2RX3 (0.46) P2RX3P2RX2RAF1BRAFWDR5
SCHEMBL3659347 0.76 KMO (0.49) P2RX3P2RX2RAF1BRAFLMNA
SCHEMBL10243307 0.70 P2RX3 (0.48) P2RX3P2RX2MAPT
SCHEMBL10243217 0.70 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL2259992 0.70 NPC1 (0.38) P2RX3P2RX2RAF1BRAF
SCHEMBL16440127 0.70 NPC1 (0.38) P2RX3P2RX2RAF1BRAF
SCHEMBL4333637 0.69 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL2170927 0.68 P2RX3 (0.51) P2RX3P2RX2WDR5
SCHEMBL10244227 0.67 P2RX3 (0.48) P2RX3P2RX2

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-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US claimed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US claimed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 P2RX3 1/4885P2RX2 3/4885RAF1 3797/4885

“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.