SCHEMBL8418296

SCHEMBL8418296

Cc1cc(C2(O)CC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
PDE2A O00408 4/20 0.38
PDE10A Q9Y233 4/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL19433328 0.88 PDE2A (0.44) POLBCASP6HDAC3HDAC1HDAC2
SCHEMBL654834 0.88 DRD2 (0.54) POLBCASP6HDAC3HDAC1HDAC2
SCHEMBL3976019 0.81 DRD2 (0.44) POLBCASP6HDAC3HDAC1HDAC2
SCHEMBL5367987 0.81 POLB (0.42) POLBCASP6HDAC3HDAC1HDAC2
SCHEMBL23215170 0.81 SLC6A3 (0.47) HDAC3HDAC1HDAC2HDAC6OPRM1
Hydrochloric Acid SCHEMBL3548209 0.80 DRD2 (0.42) POLBCASP6HDAC3HDAC1HDAC2
SCHEMBL4745351 0.78 HDAC3 (0.40) POLBCASP6HDAC3HDAC1HDAC2
SCHEMBL17282343 0.77 AKR1B10 (0.46) HDAC1HDAC6ESR1ESR2PDE2A
SCHEMBL17282330 0.77 AKR1B10 (0.46) HDAC1HDAC6ESR1ESR2PDE2A
SCHEMBL12021962 0.76 DRD2 (0.36) ESR2PDE2APDE10AOPRM1OPRK1

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 4 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-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 POLB 2691/4885CASP6 4540/4885HDAC3 1094/4885

“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.