SCHEMBL21710887

SCHEMBL21710887

CNC(=O)[C@H]1OC[C@@](O)(n2cnc3c(NCc4cc(Cl)ccc4Cl)ncnc32)[C@@H]1N

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.52
▸ ADORA1 P30542 4/20 0.46
▸ ADORA2A P29274 2/20 0.45

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
SCHEMBL29389782 0.77 ADORA3 (0.83) ADORA3ADORA1
SCHEMBL935050 0.77 ADORA3 (0.83) ADORA3ADORA1
SCHEMBL24615060 0.75 ADORA3 (0.76) ADORA3ADORA1
SCHEMBL24838613 0.75 ADORA3 (0.60) ADORA3ADORA1ADORA2A
SCHEMBL29316617 0.74 ADORA3 (0.55) ADORA3ADORA1ADORA2A
SCHEMBL19520735 0.73 ADORA3 (0.69) ADORA3ADORA1
SCHEMBL19464989 0.70 ADORA3 (0.49) ADORA3ADORA1ADORA2A
SCHEMBL19459489 0.70 ADORA3 (0.82) ADORA3ADORA1
SCHEMBL7512284 0.69 ADORA3 (0.69) ADORA3ADORA1ADORA2A
SCHEMBL937053 0.69 ADORA3 (0.73) ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2021-03-23 — — US disclosed
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2020-02-13 — — 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 (2 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-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885

“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.

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