SCHEMBL2263939

SCHEMBL2263939

C=C(C)c1cc(C(=O)OC)cc(-c2ccc(C)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 2/20 0.47
ALPL P05186 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTRC Q99895 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL2259555 0.83 CCR1 (0.40) MAPTRAB9ATDP1SMN1; SMN2MEN1
SCHEMBL25691350 0.79 MAPT (0.50) ADORA3MAPTRAB9AALPLPOLB
SCHEMBL2263241 0.76 MAPT (0.47) ADORA3MAPTRAB9AALPLPOLB
SCHEMBL2259750 0.76 ADORA3 (0.56) ADORA3MAPTRAB9AALPLPOLB
SCHEMBL23958758 0.74 ALDH1A1 (0.46) ADORA3MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL2263628 0.74 ALPL (0.51) MAPTRAB9AALPLSMN1; SMN2MEN1
SCHEMBL2259560 0.74 KDM4E (0.37) MAPTPOLBTDP1KMT2AALDH1A1
SCHEMBL21241138 0.74 TDP1 (0.69) MAPTRAB9AALPLPOLBTDP1
SCHEMBL2261359 0.74 ALDH1A1 (0.46) MAPTPOLBTDP1SMN1; SMN2MEN1
SCHEMBL23930033 0.74 NPC1 (0.44) ADORA3MAPTRAB9ASMN1; SMN2ALDH1A1

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 7 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-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-8598209-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-12-03 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
EP-2358371-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010051188-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 ADORA3 25/4885MAPT 3986/4885RAB9A 3810/4885

“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.