SCHEMBL452633

SCHEMBL452633

Cc1noc([C@@H](C)NC(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
TDP1 Q9NUW8 1/20 0.42
ACACB O00763 7/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDH1 O75874 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL17582100 1.00 RIPK1 (0.50) RIPK1TDP1ACACBPPARDPPARA
SCHEMBL30461894 0.80 IDH1 (0.40) RIPK1TDP1ACACBPPARDPPARA
SCHEMBL21048449 0.79 KMT2A (0.52) RIPK1TP53SMN1; SMN2KMT2AMEN1
SCHEMBL874297 0.77 RIPK1 (0.38) RIPK1IDH1KMT2A
SCHEMBL19773399 0.76 RIPK1 (0.36) RIPK1IDH1
SCHEMBL16945610 0.76 RIPK1 (0.36) RIPK1IDH1
SCHEMBL25091449 0.75 RIPK1 (0.39) RIPK1IDH1
SCHEMBL18884335 0.75 ACHE (0.36) RIPK1IDH1
SCHEMBL22593330 0.75 RIPK1 (0.36) RIPK1TDP1TP53SMN1; SMN2IDH1
SCHEMBL15934188 0.75 RIPK1 (0.39) RIPK1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
EP-2410858-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2215048-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2015-10-28 EP disclosed
EP-2860178-A2 P2X3 receptor antagonists for treatment of pain Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
EP-2358371-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2015-02-11 EP disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-8598209-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-12-03 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 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 (2 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 RIPK1 1331/4885TDP1 1765/4885ACACB 4707/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 RIPK1 1316/4885TDP1 1569/4885ACACB 4792/4885

“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.