SCHEMBL347954

SCHEMBL347954

C=C(C)c1nn(-c2ccc(C)cc2)c2cc(C(=O)N[C@H](C)c3nc(C)no3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.53
DGAT2 Q96PD7 15/20 0.51
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36

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
SCHEMBL346757 0.86 DGAT2 (0.53) RIPK1DGAT2TP53SMN1; SMN2MAPT
SCHEMBL366640 0.81 DGAT2 (0.59) RIPK1DGAT2
SCHEMBL348096 0.81 DGAT2 (0.59) RIPK1DGAT2
SCHEMBL347038 0.80 DGAT2 (0.76) DGAT2
SCHEMBL348115 0.75 DGAT2 (0.67) DGAT2
SCHEMBL346684 0.74 DGAT2 (0.45) RIPK1DGAT2
SCHEMBL348124 0.72 DGAT2 (0.43) RIPK1DGAT2SMN1; SMN2MAPTHPGD
SCHEMBL23391855 0.69 RIPK1 (1.00) RIPK1
SCHEMBL21536789 0.67 DGAT2 (1.00) DGAT2
SCHEMBL20166433 0.67 DGAT2 (1.00) DGAT2

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
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 RIPK1 1331/4885DGAT2 3948/4885TP53 4726/4885

“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.