SCHEMBL14903073

SCHEMBL14903073

CCC(=O)C12CC1C(n1cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc31)C(O)C2O

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.83
▸ ADORA1 P30542 16/20 0.83
▸ ADORA2A P29274 10/20 0.83
▸ HTR2B P41595 2/20 0.83
▸ TMIGD3 P0DMS9 2/20 0.66
▸ HTR2C P28335 1/20 0.66
▸ HTR3A P46098 1/20 0.66

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
SCHEMBL14903074 0.92 ADORA3 (0.83) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL3740313 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL28525054 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29524384 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL958891 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL958888 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL13388428 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29390151 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29523882 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29366953 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3

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-20130109645-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS The united States of America,as represented by Secretary,Dept.,of Health and Human Services (US) 2013-05-02 — — 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-20130109645-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS NT5E, NT5C2, NT5C3B ADORA3 6/4885ADORA1 9/4885ADORA2A 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.

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