SCHEMBL19807517

SCHEMBL19807517

Cn1nc(Cn2c(=O)ccn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 2/20 0.45
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CDA P32320 1/20 0.43
▸ SLC28A1 O00337 1/20 0.42
▸ SLC28A2 O43868 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.42
▸ SLC28A3 Q9HAS3 1/20 0.42
▸ SLC5A1 P13866 1/20 0.41
▸ P2RY6 Q15077 1/20 0.40
▸ ADK P55263 1/20 0.39

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
SCHEMBL16138515 1.00 SLC5A2 (0.45) SLC5A2LMNATHRBMTORMDM2
SCHEMBL16310914 1.00 SLC5A2 (0.45) SLC5A2LMNATHRBMTORMDM2
SCHEMBL19464856 1.00 SLC5A2 (0.45) SLC5A2LMNATHRBMTORMDM2
SCHEMBL19954920 1.00 SLC5A2 (0.45) SLC5A2LMNATHRBMTORMDM2
SCHEMBL15276437 1.00 SLC5A2 (0.45) SLC5A2LMNATHRBMTORMDM2
SCHEMBL15279674 1.00 SLC5A2 (0.45) SLC5A2LMNATHRBMTORMDM2
SCHEMBL19998418 0.87 P2RY6 (0.53) P2RY6
SCHEMBL20003779 0.87 P2RY6 (0.53) P2RY6
SCHEMBL16138506 0.86 FEN1 (0.36) SLC5A2LMNATHRBMTORMDM2
SCHEMBL15276383 0.84 NT5E (0.53) P2RY6

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 5 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-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. 2021-02-04 — — US disclosed
US-10265338-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-04-23 — — US disclosed
US-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2018-03-29 — — US disclosed
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2018-01-25 — — 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 (5 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-10265338-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 SLC5A2 228/4885LMNA 573/4885THRB 2128/4885
US-11839615-B2 Compounds and methods for treating addiction and related disorders ADORA2A, TAAR5, ADORA3 SLC5A2 1169/4885LMNA 4573/4885THRB 872/4885
US-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS SLC5A2 1656/4885LMNA 2136/4885THRB 1630/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 SLC5A2 228/4885LMNA 573/4885THRB 2128/4885
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS SLC6A3, PNMT, CES2 SLC5A2 902/4885LMNA 4444/4885THRB 955/4885

“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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