SCHEMBL12851722

SCHEMBL12851722

CC[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@H]1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.53
▸ HINT1 P49773 4/20 0.51
▸ NT5E P21589 1/20 0.47
▸ STING1 Q86WV6 3/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ PNP P00491 1/20 0.45
▸ GSK3A P49840 2/20 0.45
▸ RPS6KA3 P51812 2/20 0.45
▸ MAPK14 Q16539 2/20 0.45
▸ TGM2 P21980 1/20 0.44

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
SCHEMBL17193423 0.92 ADORA3 (0.55) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL26269037 0.91 HINT1 (0.51) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL26269047 0.91 HINT1 (0.51) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL12851760 0.89 HPGD (0.45) ADORA3HINT1NT5ETAAR1HPGD
SCHEMBL562135 0.88 ADORA3 (0.59) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL562134 0.88 ADORA3 (0.59) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL25401067 0.86 ADORA3 (0.51) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL15070633 0.86 ADORA3 (0.51) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL22266762 0.85 HINT1 (0.50) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL1375404 0.84 ADORA3 (0.55) ADORA3HINT1NT5ESTING1PDE3B

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-8278425-B2 N-substituted-aminomethylene bridged bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20100249211-A1 N-Substituted-Aminomethylene Bridged Bicyclic Nucleic Acid Analogs IONIS PHARMACEUTICALS, INC. 2010-09-30 — — 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-20100249211-A1 N-Substituted-Aminomethylene Bridged Bicyclic Nucleic Acid Analogs NSUN2, RNMT, NSUN3 ADORA3 1232/4885HINT1 656/4885NT5E 362/4885

“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