SCHEMBL4132937

SCHEMBL4132937

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccc(OC)cc4)nc(NCCc4cn(CC)cn4)nc32)[C@H](OC(=O)C(F)(F)F)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.76
ADORA3 P0DMS8 9/20 0.76
ADORA1 P30542 2/20 0.46
ADORA2B P29275 1/20 0.42

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
SCHEMBL4118397 0.93 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL4132934 0.92 ADORA2A (0.85) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL12003199 0.92 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4124320 0.91 ADORA2A (0.68) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL1401980 0.90 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL242825 0.88 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL1402026 0.87 ADORA2A (0.65) ADORA2AADORA3ADORA1
SCHEMBL4118708 0.86 ADORA2A (0.64) ADORA2AADORA3ADORA1
SCHEMBL1401976 0.86 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL243109 0.86 ADORA2A (0.63) ADORA2AADORA3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 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-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 ADORA2A 2082/4885ADORA3 554/4885ADORA1 784/4885

“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.