SCHEMBL2887308

SCHEMBL2887308

CN(C)C(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.57
ADORA3 P0DMS8 10/20 0.57
ADORA1 P30542 4/20 0.46
ADORA2B P29275 3/20 0.46

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
SCHEMBL4228949 0.91 ADORA2A (0.59) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5015592 0.89 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2889102 0.89 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2883240 0.89 ADORA2A (0.60) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4218934 0.86 ADORA2A (0.68) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL2883248 0.84 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL1836349 0.83 ADORA2A (0.68) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL238656 0.83 ADORA2A (0.68) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL238564 0.81 ADORA2A (0.60) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL243059 0.81 ADORA2A (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885ADORA1 1271/4885

“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.