SCHEMBL8418336

SCHEMBL8418336

Cc1cc(C(O)C2CC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.45
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
NR3C1 P04150 1/20 0.38
GLUL P15104 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
DHODH Q02127 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
BRD4 O60885 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL8258056 1.00 PDE2A (0.45) PDE2AGRIN1GRIN2BNR3C1GLUL
SCHEMBL20202581 0.86 OPRM1 (0.45) PDE2AHTR2AHTR2CHTR7DHODH
SCHEMBL20202582 0.86 OPRM1 (0.45) PDE2AHTR2AHTR2CHTR7DHODH
SCHEMBL23231747 0.83 PDE2A (0.45) PDE2AGRIN1GRIN2BHTR2AHTR2C
SCHEMBL21712112 0.82 OPRM1 (0.42) GRIN1GRIN2BHTR2AHTR2CSLC6A2
SCHEMBL21712111 0.82 OPRM1 (0.42) GRIN1GRIN2BHTR2AHTR2CSLC6A2
Hydrochloric Acid SCHEMBL21817132 0.81 OPRM1 (0.41) GRIN1GRIN2BHTR2AHTR2CSLC6A2
Hydrochloric Acid SCHEMBL21817133 0.81 OPRM1 (0.41) GRIN1GRIN2BHTR2AHTR2CSLC6A2
SCHEMBL8226471 0.79 PDE2A (0.43) PDE2AGRIN1GRIN2BHTR2AHTR2C
SCHEMBL8281108 0.79 PDE2A (0.41) PDE2AHTR2AHTR2CHTR7DHODH

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-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 PDE2A 723/4885GRIN1 96/4885GRIN2B 100/4885

“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.