SCHEMBL21659239

SCHEMBL21659239

COCCOc1ccc(N2CCN[C@H](C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ACACB O00763 3/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
ADRB1 P08588 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
KHK P50053 2/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
FGFR1 P11362 1/20 0.38
KCNH2 Q12809 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
SCHEMBL21659241 1.00 MAPT (0.47) MAPTACACBCHRNB2CHRNA4ADRB1
SCHEMBL21659692 1.00 MAPT (0.47) MAPTACACBCHRNB2CHRNA4ADRB1
Hydrochloric Acid SCHEMBL23855526 0.99 MAPT (0.47) MAPTACACBCHRNB2CHRNA4ADRB1
Hydrochloric Acid SCHEMBL23855525 0.99 MAPT (0.47) MAPTACACBCHRNB2CHRNA4ADRB1
Trifluoroacetic Acid SCHEMBL23855507 0.89 MAPT (0.47) MAPTACACBCHRNB2CHRNA4ADRB1
Trifluoroacetic Acid SCHEMBL23855508 0.89 MAPT (0.47) MAPTACACBCHRNB2CHRNA4ADRB1
SCHEMBL8270665 0.87 MAPT (0.48) MAPTACACBADRB1HTR3EHTR3B
SCHEMBL2245176 0.87 MAPT (0.48) MAPTACACBADRB1HTR3EHTR3B
SCHEMBL21659256 0.84 KMT2A (0.46) ACACBCHRNB2CHRNA4FGFR1KCNH2
SCHEMBL5274705 0.84 MAPT (0.49) MAPTACACBCHRNB2CHRNA4ADRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 WO 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B MAPT 4383/4885ACACB 4629/4885CHRNB2 808/4885

“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.