SCHEMBL19686527

SCHEMBL19686527

Cc1cc(C)n(-c2nc([C@H]3COCC[C@H]3O)cc(N(C(=O)OC(C)(C)C)C3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.32
ADORA1 P30542 13/20 0.32
CYP1A2 P05177 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL19687474 1.00 ADORA2A (0.32) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL19686529 0.93 ADORA2A (0.31) ADORA2AADORA1ALOX15
SCHEMBL21143687 0.89 ADORA2A (0.35) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL19687201 0.87 PIK3R1 (0.30)
SCHEMBL19687473 0.87 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL19687472 0.82 HTT (0.41) ADORA2AADORA1CYP1A2ALOX15
SCHEMBL21143702 0.81 ADORA2A (0.33) ADORA2AADORA1ALOX15
SCHEMBL19686530 0.81 ADORA2A (0.32) ADORA2AADORA1ALOX15
SCHEMBL19687477 0.78 NPSR1 (0.34) ADORA2AADORA1ALOX15
SCHEMBL21143623 0.76 IDH1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885CYP1A2 1148/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885CYP1A2 1148/4885

“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.