SCHEMBL24220640

SCHEMBL24220640

O=C(NC1CC1)C12CC1[C@@H](n1cnc3c(NC4CC5CCC4C5)nc(Cl)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 1.00
▸ ADORA1 P30542 16/20 1.00
▸ ADORA2A P29274 12/20 1.00
▸ HTR2B P41595 8/20 1.00
▸ OPRK1 P41145 1/20 0.79
▸ SLC6A2 P23975 1/20 0.69
▸ TMEM97 Q5BJF2 2/20 0.62
▸ HTR2C P28335 3/20 0.55
▸ TMIGD3 P0DMS9 2/20 0.55
▸ HSP90B1 P14625 1/20 0.53

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
SCHEMBL22087932 0.88 ADORA1 (1.00) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL22087933 0.85 ADORA3 (0.74) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL22088668 0.82 ADORA3 (0.70) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL24220488 0.82 ADORA1 (1.00) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL24220500 0.82 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL31668923 0.78 ADORA3 (0.64) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL3740327 0.77 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMEM97
SCHEMBL24220643 0.77 ADORA3 (0.62) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL24220484 0.76 ADORA3 (0.72) ADORA3ADORA1ADORA2AHTR2BOPRK1
SCHEMBL25612586 0.74 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024926-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-27 — — 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-20220024926-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF ADORA1, ADORA2A, ADORA2B ADORA3 4/4885ADORA1 1/4885ADORA2A 2/4885

“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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