SCHEMBL8437508

SCHEMBL8437508

N#CCc1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HTR6 P50406 4/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
OPRL1 P41146 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPKAPK2 P49137 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR7 P34969 2/20 0.39
HTR1A P08908 2/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL8415582 0.88 ALDH1A1 (0.49) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL7906697 0.85 ALDH1A1 (0.50) ALDH1A1MAPTGAASMN1; SMN2ADRA1D
SCHEMBL13369342 0.82 MAPT (0.44) ALDH1A1MAPTLMNASMN1; SMN2ADRA1D
SCHEMBL12828065 0.81 HTR6 (0.46) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL8250737 0.80 HTR6 (0.45) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL18052714 0.80 HTR6 (0.50) ALDH1A1HTR6MAPTOPRL1HTR1A
SCHEMBL232086 0.78 ALDH1A1 (0.57) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL29380294 0.78 ALDH1A1 (0.57) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL5023862 0.78 ALDH1A1 (0.45) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL28866520 0.77 MAPT (0.38) ALDH1A1MAPTLMNASMN1; SMN2ADRA1D

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 3 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-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

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 ALDH1A1 591/4885HTR6 44/4885MAPT 2814/4885

“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.