SCHEMBL5111369

SCHEMBL5111369

CCOC(=O)c1ncc(-c2cccnc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
CDC7 O00311 2/20 0.47
DBF4 Q9UBU7 2/20 0.47
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
DCTPP1 Q9H773 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL892373 0.86 FAAH (0.52) FAAHKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5111489 0.85 CDC7 (0.53) FAAHCDC7DBF4MMP2MMP13
SCHEMBL23091230 0.80 ALDH1A1 (0.60) CDC7DBF4MMP2MMP13MMP14
SCHEMBL27768674 0.80 FAAH (0.55) FAAHKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL6494800 0.80 HDAC1 (0.52) SMN1; SMN2MAPTKMT2ACYP2C9CYP2C19
SCHEMBL30975798 0.80 HDAC1 (0.52) SMN1; SMN2MAPTKMT2ACYP2C9CYP2C19
SCHEMBL25206936 0.80 HDAC1 (0.52) FAAHHPGDNPC1RAB9APOLB
SCHEMBL30473951 0.80 HDAC1 (0.52) FAAHHPGDNPC1RAB9APOLB
SCHEMBL2112342 0.79 CA1 (0.57) FAAHKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL2724813 0.79 ALDH1A1 (0.55) FAAHKDM4EALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1831212-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1699801-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2006065217-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2005061510-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2005-07-07 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 (2 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-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands CHRNG, CHRNE, CHRNA1 FAAH 1139/4885CDC7 2176/4885DBF4 2329/4885
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNB1, CHRNA2 FAAH 1189/4885CDC7 3062/4885DBF4 3212/4885

“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.