SCHEMBL17830413

SCHEMBL17830413

CCOP(C)(=O)C[C@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(Cl)nc31)[C@H](O)[C@@H]2O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 8/20 0.72
▸ ADORA3 P0DMS8 6/20 0.67
▸ HSP90B1 P14625 4/20 0.67
▸ ADORA1 P30542 4/20 0.67
▸ HSP90AA1 P07900 2/20 0.67
▸ ADORA2A P29274 1/20 0.67
▸ TMEM97 Q5BJF2 1/20 0.67
▸ SIGMAR1 Q99720 1/20 0.67
▸ P2RY2 P41231 2/20 0.67
▸ HTR2C P28335 2/20 0.53
▸ HTR2B P41595 2/20 0.53
▸ TMIGD3 P0DMS9 1/20 0.53

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
SCHEMBL17830424 0.92 P2RY1 (0.71) P2RY1ADORA3HSP90B1ADORA1HSP90AA1
SCHEMBL10121164 0.92 P2RY1 (0.73) P2RY1ADORA3HSP90B1ADORA1HSP90AA1
SCHEMBL12269798 0.90 P2RY1 (0.58) P2RY1ADORA3HSP90B1ADORA1HSP90AA1
SCHEMBL12269667 0.90 ADORA3 (0.66) P2RY1ADORA3HSP90B1ADORA1HSP90AA1
SCHEMBL17830425 0.89 P2RY1 (0.79) P2RY1ADORA3HSP90B1ADORA1HSP90AA1
SCHEMBL10121166 0.89 P2RY1 (0.73) P2RY1ADORA3HSP90B1ADORA1HSP90AA1
SCHEMBL12269656 0.88 P2RY1 (0.75) P2RY1ADORA3HSP90B1ADORA1HSP90AA1
SCHEMBL16440569 0.88 P2RY1 (0.80) P2RY1ADORA3HSP90B1ADORA1HSP90AA1
SCHEMBL12269666 0.87 P2RY1 (0.69) P2RY1ADORA3HSP90B1ADORA1HSP90AA1
SCHEMBL12269744 0.87 P2RY1 (0.69) P2RY1ADORA3HSP90B1ADORA1HSP90AA1

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-9526739-B2 Compositions and methods to treat cardiac diseases UNIVERSITY OF CONNECTICUT (US) 2016-12-27 — — US disclosed
US-20160166591-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES GOOGLE LLC 2016-06-16 — — 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-20160166591-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES P2RY12, P2RX6, P2RY14 P2RY1 4/4885ADORA3 84/4885HSP90B1 1428/4885

“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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