SCHEMBL25612157

SCHEMBL25612157

Cc1ccc(CCn2c(=O)ccn(C3OC(CO)C(O)C3O)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.47
▸ SLC28A1 O00337 1/20 0.47
▸ SLC28A2 O43868 1/20 0.47
▸ SLC28A3 Q9HAS3 1/20 0.47
▸ SLC5A2 P31639 3/20 0.47
▸ LMNA P02545 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ MDM2 Q00987 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ CDA P32320 1/20 0.43

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
SCHEMBL19807415 1.00 SLC29A1 (0.47) SLC29A1SLC28A1SLC28A2SLC28A3SLC5A2
SCHEMBL16310899 1.00 SLC29A1 (0.47) SLC29A1SLC28A1SLC28A2SLC28A3SLC5A2
SCHEMBL21658577 1.00 SLC29A1 (0.47) SLC29A1SLC28A1SLC28A2SLC28A3SLC5A2
SCHEMBL16311131 1.00 SLC29A1 (0.47) SLC29A1SLC28A1SLC28A2SLC28A3SLC5A2
SCHEMBL16138522 0.91 LMNA (0.39) SLC29A1SLC28A1SLC28A2SLC28A3SLC5A2
SCHEMBL23836636 0.89 SLC29A1 (0.47) SLC29A1SLC28A1SLC28A2SLC28A3SLC5A2
SCHEMBL16138518 0.89 SLC29A1 (0.47) SLC29A1SLC28A1SLC28A2SLC28A3SLC5A2
SCHEMBL19464871 0.89 SLC29A1 (0.47) SLC29A1SLC28A1SLC28A2SLC28A3SLC5A2
SCHEMBL16311135 0.89 SLC29A1 (0.47) SLC29A1SLC28A1SLC28A2SLC28A3SLC5A2
SCHEMBL19807372 0.89 SLC29A1 (0.47) SLC29A1SLC28A1SLC28A2SLC28A3SLC5A2

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-11839615-B2 Compounds and methods for treating addiction and related disorders ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-12-12 — — US disclosed
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-06-01 — — 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 (2 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-11839615-B2 Compounds and methods for treating addiction and related disorders ADORA2A, TAAR5, ADORA3 SLC29A1 273/4885SLC28A1 345/4885SLC28A2 315/4885
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 SLC29A1 2267/4885SLC28A1 1459/4885SLC28A2 1402/4885

“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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