SCHEMBL12269824

SCHEMBL12269824

CC1(C)O[C@H]2[C@H](n3cnc4c(N)nc(Cl)nc43)[C@H]3C[C@]3(CO)[C@H]2O1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.66
▸ HSP90B1 P14625 4/20 0.66
▸ HSP90AA1 P07900 2/20 0.66
▸ ADORA1 P30542 5/20 0.58
▸ ADORA2A P29274 4/20 0.58
▸ TMEM97 Q5BJF2 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.58
▸ HTR2B P41595 6/20 0.53
▸ HTR2C P28335 5/20 0.53
▸ TMIGD3 P0DMS9 3/20 0.52
▸ P2RY1 P47900 3/20 0.51
▸ HRH2 P25021 1/20 0.49
▸ HTR5A P47898 1/20 0.49
▸ P2RY2 P41231 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.47

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
SCHEMBL12269843 0.93 ADORA3 (0.59) ADORA3HSP90B1HSP90AA1ADORA1ADORA2A
SCHEMBL12269821 0.91 ADORA3 (0.56) ADORA3HSP90B1HSP90AA1ADORA1ADORA2A
SCHEMBL12269794 0.90 HTR2B (0.55) ADORA3HSP90B1HSP90AA1ADORA1ADORA2A
SCHEMBL19415065 0.90 HTR2B (0.55) ADORA3HSP90B1HSP90AA1ADORA1ADORA2A
SCHEMBL19459536 0.89 ADORA3 (0.54) ADORA3HSP90B1HSP90AA1ADORA1ADORA2A
SCHEMBL19799169 0.89 ADORA3 (0.54) ADORA3HSP90B1HSP90AA1ADORA1ADORA2A
SCHEMBL29573575 0.84 HTR2B (0.47) ADORA3HSP90B1HSP90AA1ADORA1ADORA2A
SCHEMBL17832220 0.84 P2RY1 (0.53) ADORA3HSP90B1HSP90AA1ADORA1ADORA2A
SCHEMBL19415078 0.83 P2RY1 (0.53) ADORA3HSP90B1HSP90AA1ADORA1ADORA2A
SCHEMBL12269762 0.83 P2RY1 (0.53) ADORA3HSP90B1HSP90AA1ADORA1ADORA2A

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
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
US-9303053-B2 Compositions and methods to treat cardiac diseases UNIVERSITY OF CONNECTICUT (US) 2016-04-05 — — US disclosed
US-9303053-B2 Compositions and methods to treat cardiac diseases UNIVERSITY OF CONNECTICUT (US) 2016-04-05 — — US disclosed
US-20150038463-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES UNIV CONNECTICUT (US) 2015-02-05 — — US disclosed
US-20150038463-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES UNIV CONNECTICUT (US) 2015-02-05 — — US disclosed
US-8822434-B2 Compositions and methods to treat cardiac diseases THE UNIVERSITY OF CONNECTICUT (US) 2014-09-02 — — US disclosed
US-20110212924-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES UNIVERSITY OF CONNECTICUT 2011-09-01 — — 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 (3 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-20110212924-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES P2RY12, P2RX6, P2RY14 ADORA3 84/4885HSP90B1 1428/4885HSP90AA1 1073/4885
US-20150038463-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES P2RY12, P2RX6, P2RY14 ADORA3 84/4885HSP90B1 1428/4885HSP90AA1 1073/4885
US-20160166591-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES P2RY12, P2RX6, P2RY14 ADORA3 84/4885HSP90B1 1428/4885HSP90AA1 1073/4885

“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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