SCHEMBL8250845

SCHEMBL8250845

COCc1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.54
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
HTR1A P08908 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
ADRB1 P08588 2/20 0.42
CYP2C19 P33261 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
OPRL1 P41146 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL8257402 0.88 HTR6 (0.54) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL8256529 0.88 HTR6 (0.49) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL8257736 0.86 HTR6 (0.52) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL18052714 0.83 HTR6 (0.50) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL12828065 0.81 HTR6 (0.46) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL8256500 0.81 HTR6 (0.47) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8437027 0.81 HTR6 (0.45) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL8250737 0.80 HTR6 (0.45) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8250761 0.79 HTR6 (0.45) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL14186516 0.78 HTR6 (0.50) HTR6HTR3EHTR3BHTR3AHTR3D

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 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-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 HTR6 44/4885HTR3E 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.