SCHEMBL8436616

SCHEMBL8436616

O=C(CCO)COc1ccc(N2CCNCC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
HTR1A P08908 4/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
HTT P42858 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 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
SCHEMBL14186555 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL4137594 0.82 HTR1A (0.44) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL8250956 0.80 MAPK1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL4130127 0.77 HTR3E (0.49) HTR1ASLC6A2SLC6A4HTR3EHTR3B
SCHEMBL8220962 0.75 HTR3E (0.45) ALDH1A1SMN1; SMN2LMNAHTR1ASLC6A2
SCHEMBL8256399 0.75 HTR1A (0.40) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL25542553 0.74 HTR1A (0.42) ALDH1A1SMN1; SMN2LMNAMAPTHTR1A
SCHEMBL8257064 0.74 HTR3E (0.44) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL8251173 0.74 HTR3E (0.41) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL1861752 0.74 CHRNB2 (0.51) HTR1ASLC6A2SLC6A4HTR3EHTR3B

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-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 591/4885SMN1; SMN2 837/4885LMNA 4065/4885

“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.