SCHEMBL8250571

SCHEMBL8250571

COCCOc1ccc(N2CCNCC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
HTR3A P46098 4/20 0.50
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
FFAR4 Q5NUL3 1/20 0.47
HTR1A P08908 3/20 0.47
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRB1 P08588 4/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
NCF1 P14598 1/20 0.43
TIPARP Q7Z3E1 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL14922250 0.86 HTR3A (0.69) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL1861752 0.85 CHRNB2 (0.51) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL8257048 0.85 HTR3A (0.52) CHRNB2CHRNA4HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL23855500 0.84 CHRNB2 (0.50) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL8256254 0.84 CHRNB2 (0.50) CHRNB2CHRNA4HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL23855497 0.84 LMNA (0.54) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL14922251 0.83 RET (0.51) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL8259535 0.82 CHRNB2 (0.51) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL7412675 0.82 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14922253 0.82 CHRNB2 (0.48) CHRNB2CHRNA4HTR3AHTR3EHTR3B

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-12325708-B2 Adenosine 2 receptor antagonists NEKTAR THERAPEUTICS (US) 2025-06-10 US disclosed
US-20220235056-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS NEKTAR THERAPEUTICS 2022-07-28 US disclosed
WO-2020227156-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS NEKTAR THERAPEUTICS (US) 2020-11-12 WO disclosed
WO-2020227156-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS NEKTAR THERAPEUTICS (US) 2020-11-12 WO 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 (3 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-20220235056-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA3 CHRNB2 398/4885CHRNA4 679/4885HTR3A 89/4885
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 CHRNB2 120/4885CHRNA4 93/4885HTR3A 7/4885
US-12325708-B2 Adenosine 2 receptor antagonists ADORA2A, ADORA2B, ADORA3 CHRNB2 398/4885CHRNA4 679/4885HTR3A 89/4885

“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.