SCHEMBL3227552

SCHEMBL3227552

CCCn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc(COC)n2C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ADORA3 P0DMS8 2/20 0.51
ADORA2A P29274 3/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
LMNA P02545 3/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HIF1A Q16665 1/20 0.48
ADORA1 P30542 3/20 0.48
ADORA2B P29275 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3238173 0.89 MAPT (0.55) MAPTADORA3ADORA2ALMNAMEN1
SCHEMBL3242836 0.84 ADORA2A (0.51) MAPTADORA3ADORA2ALMNAMEN1
SCHEMBL3229100 0.84 HIF1A (0.55) MAPTADORA3MAOAMAOBLMNA
SCHEMBL3234639 0.83 MAPT (0.55) MAPTADORA3ADORA2ALMNAMEN1
SCHEMBL3232599 0.82 MAPT (0.56) MAPTADORA3ADORA2ALMNAMEN1
SCHEMBL3234534 0.81 MAPT (0.55) MAPTADORA3ADORA2ALMNAMEN1
SCHEMBL3224011 0.81 ADORA3 (0.60) MAPTADORA3ADORA2ALMNAMEN1
SCHEMBL3231332 0.81 ADORA3 (0.53) MAPTADORA3ADORA2ALMNAALDH1A1
SCHEMBL3233385 0.81 MAPT (0.54) MAPTADORA3ADORA2ALMNAMEN1
SCHEMBL3232024 0.80 MAPT (0.47) MAPTADORA2AMAOAMAOBLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO 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-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 MAPT 2910/4885ADORA3 177/4885ADORA2A 183/4885

“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.