SCHEMBL2877205

SCHEMBL2877205

CC(C)(C)c1ccc(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.69
MAPT P10636 7/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
XBP1 P17861 2/20 0.45
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
LMNA P02545 2/20 0.44
STAT1 P42224 1/20 0.44
P2RY14 Q15391 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL2877990 0.88 P2RY1 (0.55) P2RY1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2880008 0.87 P2RY1 (0.69) P2RY1MAPTNPSR1KDM4ERAB9A
SCHEMBL2875413 0.87 P2RY1 (0.71) P2RY1MAPTNPSR1KDM4ERAB9A
SCHEMBL13437657 0.86 P2RY1 (0.71) P2RY1MAPTNPSR1KDM4ERAB9A
SCHEMBL2872546 0.84 P2RY1 (0.71) P2RY1MAPTNPSR1KDM4EPKM
SCHEMBL2877891 0.82 P2RY1 (0.77) P2RY1KDM4EEPHX2P2RY14TRPV1
SCHEMBL2878288 0.81 P2RY1 (1.00) P2RY1MAPTNPSR1RAB9ANPC1
SCHEMBL13063448 0.81 P2RY1 (0.61) P2RY1MAPTKDM4EPKMRAB9A
SCHEMBL9469328 0.80 P2RY1 (0.57) P2RY1MAPTNPSR1KDM4ERAB9A
SCHEMBL11726409 0.78 P2RY1 (0.56) P2RY1MAPTNPSR1KDM4ERAB9A

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-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP claimed
EP-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
EP-1899299-A2 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Brystol-Myers Squibb Company (US) 2008-03-19 EP disclosed
WO-2007002635-A2 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY11, P2RY1, P2RY13 P2RY1 2/4885MAPT 1893/4885NPSR1 78/4885

“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.