SCHEMBL3240638

SCHEMBL3240638

CCCNc1nc(CC)n(C)c1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
SLC29A1 Q99808 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL3236046 0.84 KDM4E (0.34) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL3227883 0.82 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL3233157 0.82 KDM4E (0.33) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL3229752 0.75 DAPK3 (0.43) KDM4EALDH1A1HPGDLMNANPSR1
SCHEMBL3232350 0.75 KMT2A (0.36) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL3236674 0.73 HPGD (0.36) KDM4EALDH1A1HPGDLMNATDP1
SCHEMBL3231368 0.72 MAPT (0.49) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL3232545 0.67 PIK3CD (0.30) L3MBTL1
SCHEMBL4893051 0.67 DAPK3 (0.41) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL13940734 0.66

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 SMN1; SMN2 983/4885KDM4E 3435/4885ALDH1A1 1248/4885

“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.