SCHEMBL8257680

SCHEMBL8257680

OCC1COc2ccc(N3CCNCC3)cc2O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 4/20 0.46
▸ ADRB1 P08588 6/20 0.44
▸ ADRA1D P25100 3/20 0.40
▸ ADRA1B P35368 3/20 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
▸ SIGMAR1 Q99720 3/20 0.40
▸ HTR5A P47898 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ TGFBR1 P36897 2/20 0.39
▸ ACVR1 Q04771 2/20 0.39
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL8259619 0.85 ADRB1 (0.43) ADRA1AADRB1ADRA1DADRA1BHTR3E
SCHEMBL657213 0.80 HRH3 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7802804 0.75 ADRB1 (0.58) ADRA1AADRB1ADRA1DADRA1BSIGMAR1
SCHEMBL31051830 0.75 ADRB1 (0.58) ADRA1AADRB1ADRA1DADRA1BSIGMAR1
SCHEMBL31052171 0.75 ADRB1 (0.58) ADRA1AADRB1ADRA1DADRA1BSIGMAR1
SCHEMBL7503757 0.75 TGFBR1 (0.55) ADRA1AADRB1ADRA1DADRA1BHTR3E
SCHEMBL254552 0.75 ADRB1 (0.51) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6629303 0.73 DRD2 (0.58) CYP3A4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL10755464 0.73 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL5675045 0.73 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D

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 8 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
EP-1745047-B1 PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-03-24 — — EP disclosed
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 — — EP 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 ADRA1A 37/4885ADRB1 34/4885ADRA1D 21/4885

“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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