SCHEMBL4497993

SCHEMBL4497993

CC(C)(C)C(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCN4CCCCC4)nc32)[C@H](OC(=O)C(F)(F)F)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.59
ADORA3 P0DMS8 5/20 0.53

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
SCHEMBL1402133 0.93 ADORA2A (0.59) ADORA2AADORA3
SCHEMBL1401975 0.92 ADORA2A (0.59) ADORA2AADORA3
SCHEMBL1401968 0.92 ADORA2A (0.58) ADORA2AADORA3
SCHEMBL1401988 0.92 ADORA2A (0.59) ADORA2AADORA3
SCHEMBL4125146 0.91 ADORA2A (0.58) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL4497991 0.91 ADORA2A (0.68) ADORA2AADORA3
SCHEMBL4224340 0.89 ADORA2A (0.61) ADORA2AADORA3
SCHEMBL4224344 0.88 ADORA2A (0.63) ADORA2AADORA3
SCHEMBL590746 0.87 ADORA2A (0.58) ADORA2AADORA3
SCHEMBL590745 0.85 ADORA2A (0.58) ADORA2AADORA3

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-20090281127-A1 Organic Compounds NOVARTIS AG (CH) 2009-11-12 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-20090281127-A1 Organic Compounds CYP3A43, CYP3A4, CYP2C19 ADORA2A 2387/4885ADORA3 732/4885

“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.