SCHEMBL16440584

SCHEMBL16440584

CC(C)OP(=O)(CC[C@]12C[C@@H]1[C@@H](n1cnc3c(Cl)nc(Cl)nc31)[C@@H]1OC(C)(C)O[C@@H]12)OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.49
▸ HTR5A P47898 1/20 0.49
▸ HTR2B P41595 15/20 0.40
▸ P2RY1 P47900 4/20 0.40
▸ HTR2C P28335 12/20 0.40
▸ ADORA1 P30542 10/20 0.40
▸ TMIGD3 P0DMS9 7/20 0.40
▸ ADORA2A P29274 6/20 0.40
▸ P2RY2 P41231 2/20 0.40
▸ ADORA3 P0DMS8 5/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TSPO P30536 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL16440583 0.92 P2RY1 (0.50) HRH2HTR5AHTR2BP2RY1HTR2C
SCHEMBL16440571 0.85 HRH2 (0.49) HRH2HTR5AHTR2BP2RY1HTR2C
SCHEMBL12269853 0.83 ADORA3 (0.45) HRH2HTR5AP2RY1ADORA2AP2RY2
SCHEMBL19799166 0.82 HRH2 (0.49) HRH2HTR5AHTR2BP2RY1HTR2C
SCHEMBL19459932 0.82 HRH2 (0.49) HRH2HTR5AHTR2BP2RY1HTR2C
SCHEMBL12269794 0.82 HTR2B (0.55) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL19415065 0.82 HTR2B (0.55) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL12269764 0.81 HRH2 (0.49) HRH2HTR5AHTR2BP2RY1HTR2C
SCHEMBL12269789 0.80 HRH2 (0.48) HRH2HTR5AHTR2BP2RY1HTR2C
SCHEMBL19415074 0.80 HRH2 (0.48) HRH2HTR5AHTR2BP2RY1HTR2C

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 4 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-20150038463-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES UNIV CONNECTICUT (US) 2015-02-05 — — 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 (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-20150038463-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES P2RY12, P2RX6, P2RY14 HRH2 1177/4885HTR5A 688/4885HTR2B 1733/4885
US-20160166591-A1 COMPOSITIONS AND METHODS TO TREAT CARDIAC DISEASES P2RY12, P2RX6, P2RY14 HRH2 1177/4885HTR5A 688/4885HTR2B 1733/4885

“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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