SCHEMBL2495776

SCHEMBL2495776

CC(=O)O[C@H]1C[C@H](n2cc(C#CCNC(=O)CCCCCNC(=O)C(F)(F)F)cc2[N+](=O)[O-])O[C@@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 6/20 0.38
ADRA2A P08913 2/20 0.32
DRD5 P21918 2/20 0.32
ADRA2B P18089 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SLC6A2 P23975 1/20 0.31
DRD3 P35462 1/20 0.31
TK2 O00142 1/20 0.30

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
SCHEMBL2493985 0.89 P2RY6 (0.36) P2RY6TK2
SCHEMBL2497690 0.80 RNASE1 (0.34) P2RY6ADRA2ADRD5ADRA2BSIGMAR1
SCHEMBL16085973 0.79 LMNA (0.39) P2RY6ADRA2ADRD5ADRA2BSIGMAR1
SCHEMBL16085892 0.78 SMN1; SMN2 (0.37) TK2
SCHEMBL16085903 0.78 RNASE1 (0.37) SLC6A2
SCHEMBL2497688 0.75 RNASE1 (0.33)
SCHEMBL7221864 0.69 RNASE1 (0.48) SLC6A2
SCHEMBL1566423 0.69 RNASE1 (0.48) SLC6A2
SCHEMBL14979297 0.69 TYMS (0.36)
SCHEMBL16104239 0.69 TYMS (0.36)

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
EP-1970445-B1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS RIKEN (JP) 2012-09-26 EP disclosed
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US disclosed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 EP 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-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT P2RY6 1467/4885ADRA2A 4308/4885DRD5 1620/4885

“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.