SCHEMBL18352610

SCHEMBL18352610

CC(=O)[C@]12CC1[C@@H](n1cnc3c(NCCc4ccccc4)nc(C#Cc4ccc(C)s4)nc31)[C@H](O)C2O

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.75
▸ SLC6A2 P23975 2/20 0.63
▸ TMEM97 Q5BJF2 1/20 0.63
▸ TMIGD3 P0DMS9 3/20 0.62
▸ ADRB3 P13945 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ ADORA2A P29274 1/20 0.61
▸ ADORA1 P30542 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ SLC6A4 P31645 1/20 0.60

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
SCHEMBL18352437 0.91 ADORA3 (0.73) ADORA3SLC6A2TMIGD3ADRB3SLC6A3
SCHEMBL18352993 0.89 ADORA3 (0.74) ADORA3SLC6A2TMIGD3ADRB3SLC6A3
SCHEMBL18352472 0.89 ADORA3 (0.72) ADORA3SLC6A2TMIGD3ADRB3SLC6A3
SCHEMBL18352994 0.87 ADORA3 (0.73) ADORA3SLC6A2TMIGD3ADRB3SLC6A3
SCHEMBL18352471 0.87 TMIGD3 (0.73) ADORA3SLC6A2TMIGD3SLC6A3ADORA2A
SCHEMBL20121272 0.87 TMIGD3 (0.73) ADORA3SLC6A2TMIGD3SLC6A3ADORA2A
SCHEMBL18352585 0.86 ADORA3 (0.70) ADORA3ADORA2AADORA1KCNH2
SCHEMBL18352587 0.86 ADORA3 (0.74) ADORA3SLC6A2TMIGD3ADRB3SLC6A3
SCHEMBL23097505 0.85 ADORA3 (1.00) ADORA3SLC6A2TMIGD3ADRB3SLC6A3
SCHEMBL20122072 0.85 ADORA3 (1.00) ADORA3SLC6A2TMIGD3ADRB3SLC6A3

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 1/4885SLC6A2 721/4885TMEM97 202/4885

“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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