SCHEMBL8251237

SCHEMBL8251237

CC(O)c1cc(N2CCNCC2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.49
HTR3E A5X5Y0 5/20 0.45
HTR3B O95264 5/20 0.45
HTR3A P46098 5/20 0.45
HTR3D Q70Z44 5/20 0.45
HTR3C Q8WXA8 5/20 0.45
SIGMAR1 Q99720 5/20 0.45
HTR1A P08908 3/20 0.44
HTR7 P34969 2/20 0.44
HTR2C P28335 2/20 0.44
THRB P10828 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL11822491 0.84 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL20883686 0.78 ADRB1 (0.51) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8251240 0.77 ALDH1A1 (0.44) ADRB1CYP1A2CYP2C9HTTALDH1A1
SCHEMBL8250920 0.77 ALDH1A1 (0.44) ADRB1CYP1A2CYP2C9HTTALDH1A1
SCHEMBL478208 0.77 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6964650 0.76 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1022323 0.76 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14995689 0.76 ADRB1 (0.52) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL8318106 0.75 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL30892475 0.75 ADRB1 (0.55) 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 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 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.