SCHEMBL12828583

SCHEMBL12828583

N[C@@H]1CC[C@@H](OS)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.56
SLC6A3 Q01959 9/20 0.56
SLC6A4 P31645 7/20 0.56
IDO1 P14902 4/20 0.36
HTR2A P28223 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL11592475 0.80 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4IDO1HTR2A
SCHEMBL30998353 0.80 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4IDO1HTR2A
SCHEMBL11592473 0.80 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4IDO1HTR2A
SCHEMBL11592479 0.80 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4IDO1HTR2A
SCHEMBL6924410 0.80 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4HTR2A
SCHEMBL18761532 0.76 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4IDO1HTR2A
SCHEMBL29551852 0.76 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4IDO1HTR2A
SCHEMBL18761548 0.76 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4IDO1HTR2A
SCHEMBL22297031 0.76 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4IDO1HTR2A
SCHEMBL18761528 0.76 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4IDO1HTR2A

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-7915268-B2 And 8-substituted 2-(imidazolo[4,5-c]pyridinyl)purines; Janus kinase 3 inhibitors; autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-03-29 US disclosed
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 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-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, KIT, ADORA2A SLC6A2 1155/4885SLC6A3 2070/4885SLC6A4 541/4885

“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.