SCHEMBL8259263

SCHEMBL8259263

c1cc(N2CCNCC2)ccc1OC1CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.57
HTR3E A5X5Y0 4/20 0.57
HTR3B O95264 4/20 0.57
HTR3A P46098 4/20 0.57
HTR3D Q70Z44 4/20 0.57
HTR3C Q8WXA8 4/20 0.57
SIGMAR1 Q99720 4/20 0.57
LTA4H P09960 4/20 0.54
HRH1 P35367 2/20 0.47
HRH3 Q9Y5N1 1/20 0.45
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
PLD1 Q13393 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR5A P47898 1/20 0.44
ACACB O00763 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL18553743 0.95 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL6539081 0.94 ADRB1 (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL18553745 0.92 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3576393 0.88 HRH3 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14922257 0.87 ADRB1 (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL5273514 0.87 HRH3 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9022349 0.87 HRH1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL20000543 0.86 PARP10 (0.47) HRH1HRH3ACACBKDM4EALDH1A1
SCHEMBL9014013 0.85 HRH1 (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL20000474 0.82 L3MBTL1 (0.47) HRH3ACACBKDM4EALDH1A1

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-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ADRB1 34/4885HTR3E 40/4885HTR3B 13/4885

“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.