SCHEMBL416912

SCHEMBL416912

CCOC(=O)c1oc(-c2ccc(C)cc2)nc1I

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 6/20 0.64
PDCD4 Q53EL6 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
IKBKB O14920 2/20 0.44
LMNA P02545 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL15049287 0.86 TARBP2 (0.64) TARBP2PDCD4TRPM8ESR1ESR2
SCHEMBL418081 0.82 IKBKB (0.49) TARBP2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL31266923 0.80 TARBP2 (0.43) TARBP2PDCD4ESR1ESR2ALDH1A1
SCHEMBL4918154 0.78 TARBP2 (1.00) TARBP2PDCD4TRPM8ESR1ESR2
SCHEMBL22658100 0.77 ESR2 (0.58) TARBP2PDCD4TRPM8ESR1ESR2
SCHEMBL23574516 0.76 TARBP2 (0.67) TARBP2PDCD4ESR1ESR2ALDH1A1
SCHEMBL10709187 0.76 ALDH1A1 (0.75) TARBP2PDCD4TRPM8ESR1ESR2
SCHEMBL11622665 0.75 TARBP2 (0.63) TARBP2TRPM8ALDH1A1HSD17B10KDM4E
SCHEMBL3536215 0.75 TARBP2 (0.68) TARBP2PDCD4ALDH1A1HSD17B10KDM4E
SCHEMBL13815991 0.75 TARBP2 (0.66) TARBP2PDCD4TRPM8ESR1ESR2

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
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
EP-2410858-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
WO-2010111059-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO 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 TARBP2 3311/4885PDCD4 2722/4885TRPM8 51/4885

“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.