SCHEMBL8250737

SCHEMBL8250737

OCc1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
MAPKAPK2 P49137 1/20 0.44
OPRL1 P41146 3/20 0.43
ALDH1A1 P00352 2/20 0.42
HTR7 P34969 1/20 0.42
USP28 Q96RU2 2/20 0.41
USP25 Q9UHP3 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 1/20 0.39

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
SCHEMBL8226470 0.87 HTR6 (0.45) HTR6OPRL1ALDH1A1HTR7MAPT
SCHEMBL12828065 0.85 HTR6 (0.46) HTR6MAPKAPK2OPRL1ALDH1A1USP28
SCHEMBL18052714 0.84 HTR6 (0.50) HTR6OPRL1ALDH1A1USP28USP25
SCHEMBL4058300 0.83 ALDH1A1 (0.54) ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL5023862 0.81 ALDH1A1 (0.45) HTR6MAPKAPK2OPRL1ALDH1A1USP28
SCHEMBL8439636 0.81 MAPKAPK2 (0.43) HTR6MAPKAPK2OPRL1ALDH1A1USP28
SCHEMBL14922289 0.81 CHKA (0.50) OPRL1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL14687616 0.81 HTR3A (0.56) HTR6HTR7HTR1A
SCHEMBL8250845 0.80 HTR6 (0.54) HTR6MAPKAPK2OPRL1MAPTLMNA
SCHEMBL8259609 0.80 ALDH1A1 (0.58) HTR6ALDH1A1MAPTLMNAGAA

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 7 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
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO 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 HTR6 44/4885MAPKAPK2 2250/4885OPRL1 125/4885

“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.