SCHEMBL18352476

SCHEMBL18352476

CC(=O)[C@]12CC1[C@@H](n1cnc3c(NC4CCC4)nc(I)nc31)[C@H](O)C2O

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.83
▸ TMIGD3 P0DMS9 4/20 0.83
▸ ADORA1 P30542 13/20 0.64
▸ HTR2B P41595 5/20 0.64
▸ ADORA2A P29274 3/20 0.64
▸ TMEM97 Q5BJF2 2/20 0.64
▸ HTR2C P28335 3/20 0.61
▸ TSPO P30536 1/20 0.54
▸ HRH1 P35367 1/20 0.54

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
SCHEMBL20122156 0.91 ADORA3 (1.00) ADORA3TMIGD3ADORA1HTR2BADORA2A
SCHEMBL25566686 0.91 ADORA3 (1.00) ADORA3TMIGD3ADORA1HTR2BADORA2A
SCHEMBL16774492 0.91 ADORA3 (1.00) ADORA3TMIGD3ADORA1HTR2BADORA2A
SCHEMBL16774444 0.91 ADORA3 (1.00) ADORA3TMIGD3ADORA1HTR2BADORA2A
SCHEMBL18352618 0.85 ADORA3 (0.84) ADORA3TMIGD3ADORA1HTR2BADORA2A
SCHEMBL31350161 0.81 ADORA3 (0.66) ADORA3TMIGD3ADORA1HTR2BADORA2A
SCHEMBL18352586 0.80 ADORA3 (0.73) ADORA3TMIGD3ADORA1ADORA2AHTR2C
SCHEMBL18352572 0.80 ADORA3 (0.71) ADORA3TMIGD3ADORA1HTR2BADORA2A
SCHEMBL31350120 0.79 ADORA3 (0.64) ADORA3TMIGD3ADORA1HTR2BADORA2A
SCHEMBL31350187 0.79 ADORA1 (0.78) ADORA3TMIGD3ADORA1HTR2BADORA2A

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-9963450-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-08 — — US disclosed
US-20170002007-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2017-01-05 — — 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-20170002007-A1 A3 ADENOSINE RECEPTOR AGONISTS ADORA3, ADORA2B, ADORA1 ADORA3 1/4885TMIGD3 3634/4885ADORA1 3/4885

“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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