SCHEMBL8250772

SCHEMBL8250772

CCOCCOc1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
HTR1A P08908 4/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 2/20 0.39
PRKDC P78527 1/20 0.39
HTR6 P50406 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
NCF1 P14598 2/20 0.39
OPRL1 P41146 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
SCHEMBL4130127 0.88 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1861752 0.87 CHRNB2 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL23855500 0.86 CHRNB2 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29749341 0.84 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8250576 0.84 HTR1A (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8220966 0.83 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3HTR6
Hydrochloric Acid SCHEMBL17422277 0.83 ALDH1A1 (0.44) HTR1ASLC6A2SLC6A4PRKDCCHRNB2
SCHEMBL4137594 0.83 HTR1A (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21330944 0.80 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21330991 0.80 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 40/4885HTR3B 13/4885HTR3A 7/4885

“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.