SCHEMBL416953

SCHEMBL416953

Cc1ncc(-c2nn(-c3ccc(F)cn3)cc2C(=O)N[C@H](C)c2ccc(C(F)(F)F)[n+]([O-])c2)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 3/20 0.43
CYP2C9 P11712 1/20 0.42
P2RX3 P56373 1/20 0.42
TRPV4 Q9HBA0 1/20 0.34
PDE10A Q9Y233 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
PHGDH O43175 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PDPK1 O15530 3/20 0.31
PTGER4 P35408 1/20 0.31
ACACB O00763 1/20 0.31
KCNK3 O14649 1/20 0.31
KIT P10721 1/20 0.31

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
SCHEMBL16433529 0.92 DGAT2 (0.35) DGAT2CYP2C9P2RX3TRPV4PDE10A
SCHEMBL413834 0.87 DGAT2 (0.47) DGAT2CYP2C9P2RX3EGLN1PHGDH
SCHEMBL417788 0.83 DGAT2 (0.45) DGAT2CYP2C9P2RX3PDE10AEGLN1
SCHEMBL16433691 0.79 DGAT2 (0.39) DGAT2CYP2C9P2RX3EGLN1PTGER4
SCHEMBL16433695 0.75 DGAT2 (0.37) DGAT2CYP2C9P2RX3PDE10AEGLN1
SCHEMBL415272 0.75 TRPV4 (0.37) TRPV4EGLN1CNR1CNR2KIT
SCHEMBL416852 0.71 NPC1 (0.41) P2RX3TRPV4
SCHEMBL13092889 0.68 P2RX3 (0.65) DGAT2CYP2C9P2RX3PHGDHPTGER4
SCHEMBL3070767 0.68 P2RX3 (0.64) DGAT2CYP2C9P2RX3PHGDHPTGER4
SCHEMBL3070764 0.68 P2RX3 (0.64) DGAT2CYP2C9P2RX3PHGDHPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2410858-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 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-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 DGAT2 4151/4885CYP2C9 3902/4885P2RX3 1/4885

“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.