SCHEMBL4963472

SCHEMBL4963472

CCOC(=O)c1nc(C2CCCC2)oc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TARBP2 Q15633 2/20 0.38
HCRTR2 O43614 1/20 0.38
ELANE P08246 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10815509 0.87 TARBP2 (0.48) CSNK1DALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9098405 0.86 TARBP2 (0.47) CSNK1DALDH1A1MEN1KMT2ATSHR
SCHEMBL26101348 0.81 TARBP2 (0.50) ALDH1A1CYP1A2MEN1KMT2ATSHR
SCHEMBL2566031 0.78 TARBP2 (0.43) ALDH1A1CYP1A2MEN1KMT2ATSHR
SCHEMBL26099199 0.78 TARBP2 (0.40) ALDH1A1CYP1A2MEN1KMT2ATSHR
SCHEMBL3530308 0.77 HCRTR2 (0.48) CSNK1DALDH1A1MEN1KMT2ATSHR
SCHEMBL3529338 0.77 HCRTR2 (0.48) CSNK1DALDH1A1MEN1KMT2ATSHR
SCHEMBL361590 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A2MEN1KMT2AKDM4E
SCHEMBL26101460 0.76 HCRTR2 (0.39) ALDH1A1CYP1A2KMT2ATSHRKDM4E
SCHEMBL26102843 0.76 HCRTR2 (0.39) ALDH1A1CYP1A2KMT2ATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US claimed
EP-1966176-A1 HETEROCYCLIC GABA-B MODULATORS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1966176-A1 HETEROCYCLIC GABA-B MODULATORS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 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-20080312291-A1 Heterocyclic Gaba-b Modulators GABBR1, GABBR2, GABRB1 CSNK1D 1279/4885ALDH1A1 1429/4885CYP1A2 599/4885

“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.