SCHEMBL2263241

SCHEMBL2263241

COC(=O)c1cc(-c2ccc(C)cc2)nc(C(C)(C)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CNR2 P34972 2/20 0.44
ADORA3 P0DMS8 6/20 0.44
CTRC Q99895 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 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
HSD17B10 Q99714 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 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
SCHEMBL27860304 0.85 LOXL2 (0.51) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2259170 0.85 CTRC (0.58) MAPTALPLSMN1; SMN2ADORA3CTRC
SCHEMBL25691350 0.79 MAPT (0.50) MAPTRAB9AALPLPOLBTDP1
SCHEMBL2263939 0.76 ADORA3 (0.47) MAPTRAB9AALPLPOLBTDP1
SCHEMBL21241138 0.74 TDP1 (0.69) MAPTRAB9AALPLPOLBTDP1
SCHEMBL29141517 0.73 KDM4E (0.65) MAPTRAB9AALPLPOLBTDP1
SCHEMBL2259750 0.73 ADORA3 (0.56) MAPTRAB9AALPLPOLBTDP1
SCHEMBL28490522 0.71 TSHR (0.57) MAPTSMN1; SMN2ADORA3CTRCKDM4E
SCHEMBL1495498 0.71 TDP1 (0.64) MAPTRAB9AALPLPOLBTDP1
SCHEMBL453058 0.70 MEN1 (0.47) MAPTRAB9AALPLPOLBSMN1; SMN2

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 MAPT 3986/4885RAB9A 3810/4885ALPL 3150/4885

“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.