SCHEMBL13227641

SCHEMBL13227641

CCN1CC2(CCC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.54
HDAC1 Q13547 8/20 0.47
HDAC6 Q9UBN7 8/20 0.47
HDAC8 Q9BY41 2/20 0.47
SIGMAR1 Q99720 3/20 0.41
OPRM1 P35372 1/20 0.41
SLC18A3 Q16572 2/20 0.40
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
EBP Q15125 1/20 0.35

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
SCHEMBL13227647 0.97 HDAC1 (0.50) NOTUMHDAC1HDAC6HDAC8SIGMAR1
SCHEMBL13227637 0.95 HDAC1 (0.52) NOTUMHDAC1HDAC6HDAC8SIGMAR1
SCHEMBL13227640 0.93 NOTUM (0.51) NOTUMHDAC1HDAC6HDAC8SIGMAR1
SCHEMBL13227804 0.85 HDAC1 (0.56) NOTUMHDAC1HDAC6HDAC8SIGMAR1
SCHEMBL13227806 0.85 AKT1 (0.44) NOTUMHDAC1HDAC6HDAC8SIGMAR1
SCHEMBL12627892 0.85 NOTUM (0.42) NOTUMHDAC1HDAC6HDAC8SIGMAR1
SCHEMBL13227799 0.84 HDAC1 (0.44) NOTUMHDAC1HDAC6HDAC8SIGMAR1
SCHEMBL13227811 0.84 HDAC1 (0.44) NOTUMHDAC1HDAC6HDAC8SIGMAR1
SCHEMBL14242456 0.84 HDAC1 (0.44) NOTUMHDAC1HDAC6HDAC8SIGMAR1
SCHEMBL12626928 0.84 NOTUM (0.40) NOTUMHDAC1HDAC6HDAC8SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 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-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 NOTUM 4169/4885HDAC1 3883/4885HDAC6 3159/4885

“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.