SCHEMBL291996

SCHEMBL291996

CCCN(C(=O)C(F)(F)F)[C@H]1C[C@@H](n2cnc3c(N[C@H](CO)Cc4c[nH]c5ccccc45)nc(N4CC[C@@H](N(C)C)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SNCA P37840 16/20 0.34
ADORA2A P29274 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
TACR1 P25103 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL241768 0.89 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
SCHEMBL242741 0.89 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
SCHEMBL1833704 0.87 ADORA2A (0.32) ADORA2AADORA3
SCHEMBL293887 0.87 ADORA2A (0.32) ADORA2AADORA3
SCHEMBL294575 0.87 ADORA2A (0.36) ADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL291994 0.86 ADORA2A (0.40) SNCAADORA2AADORA3TACR1
SCHEMBL242737 0.86 ADORA2A (0.34) ADORA2AADORA3ADORA1
SCHEMBL244024 0.86 ADORA2A (0.34) ADORA2AADORA3ADORA1
SCHEMBL243067 0.86 ADORA2A (0.38) ADORA2AADORA3ADORA2BADORA1
SCHEMBL243280 0.85 ADORA2A (0.39) ADORA2AADORA3ADORA2BADORA1

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-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP 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 SNCA 1879/4885ADORA2A 2741/4885ADORA3 795/4885

“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.