SCHEMBL18353094

SCHEMBL18353094

CC(=O)[C@]12CC1[C@@H](n1cnc3c(NCc4cccc(C)c4)nc(I)nc31)[C@H](O)C2O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.71
▸ ADORA1 P30542 17/20 0.71
▸ ADORA2A P29274 10/20 0.71
▸ TMIGD3 P0DMS9 2/20 0.63
▸ HTR2B P41595 1/20 0.61

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
SCHEMBL19459829 0.92 ADORA3 (0.84) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL19799163 0.92 ADORA3 (0.84) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL18352617 0.87 ADORA3 (0.75) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL18352574 0.85 ADORA3 (0.85) ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL19464994 0.83 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL16774394 0.83 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL22933145 0.83 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL19459892 0.83 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL20122154 0.83 ADORA3 (1.00) ADORA3ADORA1ADORA2ATMIGD3HTR2B
SCHEMBL3725848 0.83 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B

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 1/4885ADORA1 3/4885ADORA2A 4/4885

“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.

Send feedback