SCHEMBL5102495

SCHEMBL5102495

CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)C34CC4)c2n1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.72
▸ CYP2C9 P11712 1/20 0.59
▸ PGR P06401 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ FPR3 P25089 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ GPR183 P32249 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ SLC29A1 Q99808 1/20 0.52
▸ P2RY13 Q9BPV8 1/20 0.52

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
SCHEMBL10074060 0.86 P2RY12 (0.79) P2RY12CYP2C9
SCHEMBL5099395 0.86 P2RY12 (0.69) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL7000932 0.84 P2RY12 (1.00) P2RY12CYP2C9PGRADORA3CHRM1
Acetic Acid SCHEMBL5109669 0.83 P2RY12 (0.66) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL5729485 0.83 P2RY12 (1.00) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL2066591 0.83 P2RY12 (0.76) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL2065338 0.83 P2RY12 (1.00) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL10074052 0.83 P2RY12 (0.76) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL7482538 0.83 P2RY12 (0.84) P2RY12CYP2C9PGRADORA3CHRM1
SCHEMBL10074061 0.83 P2RY12 (1.00) P2RY12CYP2C9PGRADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335918-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-09-13 — — EP claimed
US-6844348-B2 2,3,4-cyclopentan-2,3,4-triol-1-yl compounds ASTRAZENECA AB (SE) 2005-01-18 — — US claimed
US-20040029899-A1 Novel compounds ASTRAZENECA AB (SE) 2004-02-12 — — US claimed
US-7345047-B2 Substituted [1,2,3]triazolo[4,5-d]pyrimidines ASTRAZENECA AB (SE) 2008-03-18 — — US disclosed
EP-1335918-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-09-13 — — EP disclosed
US-20050143399-A1 Novel compounds ASTRAZENECA AB (SE) 2005-06-30 — — US disclosed
US-6844348-B2 2,3,4-cyclopentan-2,3,4-triol-1-yl compounds ASTRAZENECA AB (SE) 2005-01-18 — — US disclosed
US-20040029899-A1 Novel compounds ASTRAZENECA AB (SE) 2004-02-12 — — 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-20040029899-A1 Novel compounds CNR2, PTGIS, CYP11B2 P2RY12 127/4885CYP2C9 486/4885PGR 1714/4885
US-20050143399-A1 Novel compounds CNR2, PTGIS, CYP11B2 P2RY12 127/4885CYP2C9 486/4885PGR 1714/4885

“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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