SCHEMBL8256354

SCHEMBL8256354

COCCOCc1ccc(F)c(N2CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.49
▸ OPRL1 P41146 4/20 0.40
▸ HTR3E A5X5Y0 3/20 0.40
▸ HTR3B O95264 3/20 0.40
▸ HTR3A P46098 3/20 0.40
▸ HTR3D Q70Z44 3/20 0.40
▸ HTR3C Q8WXA8 3/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ ADRB1 P08588 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SIGMAR1 Q99720 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
SCHEMBL8256529 0.90 HTR6 (0.49) HTR6OPRL1HTR3EHTR3BHTR3A
SCHEMBL14186516 0.88 HTR6 (0.50) HTR6OPRL1HTR3EHTR3BHTR3A
SCHEMBL8257402 0.88 HTR6 (0.54) HTR6OPRL1HTR3EHTR3BHTR3A
SCHEMBL8259535 0.79 CHRNB2 (0.51) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL13344705 0.78 ADRB1 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21533935 0.78 HTR6 (0.54) HTR6OPRL1HTR1ADRD2DRD3
SCHEMBL8250845 0.77 HTR6 (0.54) HTR6OPRL1HTR3EHTR3BHTR3A
SCHEMBL27609222 0.75 HTR6 (0.45) HTR6OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL8226470 0.75 HTR6 (0.45) HTR6OPRL1HTR1AHTR2AHTR2C
SCHEMBL8257736 0.75 HTR6 (0.52) HTR6OPRL1HTR3EHTR3BHTR3A

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 44/4885OPRL1 125/4885HTR3E 40/4885

“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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