SCHEMBL12269776

SCHEMBL12269776

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.59
▸ HTR5A P47898 1/20 0.59
▸ HTR2B P41595 9/20 0.53
▸ HTR2C P28335 7/20 0.53
▸ TMIGD3 P0DMS9 5/20 0.53
▸ ADORA3 P0DMS8 10/20 0.48
▸ ADORA1 P30542 10/20 0.48
▸ HSP90B1 P14625 3/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ ADORA2A P29274 6/20 0.45
▸ TMEM97 Q5BJF2 2/20 0.45
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL12269992 0.92 HRH2 (0.59) HRH2HTR5AHTR2BHTR2CTMIGD3
SCHEMBL24220655 0.87 HRH2 (0.77) HRH2HTR5AHTR2BHTR2CTMIGD3
SCHEMBL14401404 0.87 HRH2 (0.77) HRH2HTR5AHTR2BHTR2CTMIGD3
SCHEMBL29574284 0.86 HRH2 (0.53) HRH2HTR5AHTR2BHTR2CTMIGD3
SCHEMBL31668923 0.83 ADORA3 (0.64) HRH2HTR5AHTR2BHTR2CTMIGD3
SCHEMBL18352583 0.83 HRH2 (0.52) HRH2HTR5AHTR2BHTR2CTMIGD3
SCHEMBL12269874 0.83 HSP90B1 (0.59) HRH2HTR5AHTR2BHTR2CTMIGD3
SCHEMBL17830426 0.83 HRH2 (0.58) HRH2HTR5AHTR2BHTR2CTMIGD3
SCHEMBL12269794 0.82 HTR2B (0.55) HRH2HTR5AHTR2BHTR2CTMIGD3
SCHEMBL19415065 0.82 HTR2B (0.55) HRH2HTR5AHTR2BHTR2CTMIGD3

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-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 (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-20110212924-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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