SCHEMBL13084343

SCHEMBL13084343

CC[C@H]1O[C@@H](n2cnc3c(C)nc(I)nc32)[C@H](C)[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.46
ADORA1 P30542 5/20 0.43
ADORA2A P29274 3/20 0.43
NT5E P21589 1/20 0.38
DNMT1 P26358 1/20 0.37
HTR2B P41595 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL13084342 0.85 LMNA (0.47) ADORA3ADORA1ADORA2A
SCHEMBL14030794 0.81 EHMT1 (0.43) ADORA3ADORA1ADORA2A
SCHEMBL13084341 0.81 ADORA3 (0.50) ADORA3ADORA1ADORA2A
SCHEMBL13046064 0.78 DNMT1 (0.49) ADORA3ADORA1ADORA2ANT5EDNMT1
SCHEMBL14424393 0.77 ADORA3 (0.70) ADORA3ADORA1ADORA2ANT5ECYP2C19
SCHEMBL19961889 0.77 ADORA2A (0.40) ADORA3ADORA1ADORA2ANT5EDNMT1
SCHEMBL13046060 0.77 HINT1 (0.53) ADORA3ADORA1ADORA2ANT5ECYP2C19
SCHEMBL14003428 0.76 CYP2C19 (0.43) ADORA3ADORA1ADORA2ACYP2C19
SCHEMBL13899183 0.76 CYP2C19 (0.43) ADORA3ADORA1ADORA2ACYP2C19
SCHEMBL12359596 0.75 ADORA3 (0.58) ADORA3ADORA1ADORA2ACYP2C19

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-7807685-B2 Therapeutic compounds CBT DEVELOPMENT LIMITED (GB) 2010-10-05 US disclosed
US-20080076776-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-03-27 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-20080076776-A1 Therapeutic compounds FPR3, OGFR, OPRK1 ADORA3 370/4885ADORA1 1640/4885ADORA2A 1448/4885

“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.