SCHEMBL2214488

SCHEMBL2214488

C[C@@H]1CN(c2ncc(Br)cc2C=O)C[C@H](C)O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.48
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL6103809 0.87 OPRK1 (0.51) OPRK1
SCHEMBL2213986 0.84 OPRK1 (0.49) OPRK1MAPTRAB9AHTTALDH1A1
SCHEMBL2215378 0.80 KDM4E (0.41) GAAMAPTRAB9AL3MBTL1KDM4E
SCHEMBL25930863 0.80 KDM4E (0.40) GAAMAPTRAB9APOLBL3MBTL1
SCHEMBL25930953 0.80 KDM4E (0.40) GAAMAPTRAB9APOLBL3MBTL1
SCHEMBL6104537 0.80 OPRK1 (0.58) OPRK1
SCHEMBL2215363 0.79 LRRK2 (0.40) GAAMAPTRAB9AL3MBTL1KDM4E
SCHEMBL2247014 0.79 PIK3CA (0.40) GAAMAPTRAB9AL3MBTL1KDM4E
SCHEMBL2215416 0.79 GAK (0.52) OPRK1GAAMAPTRAB9AL3MBTL1
SCHEMBL2247007 0.79 PIK3CA (0.40) GAAMAPTRAB9AL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 US disclosed
EP-2178876-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL AstraZeneca AB (SE) 2010-04-28 EP disclosed
WO-2009010801-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA UK LIMITED (GB) 2009-01-22 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX OPRK1 664/4885GAA 3274/4885MAPT 2817/4885

“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.