SCHEMBL517947

SCHEMBL517947

COc1cc(N2CCC(N(C(=O)O)C(C)(C)C)CC2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.40
IP6K1 Q92551 1/20 0.38
SLC16A3 O15427 2/20 0.36
SLC16A1 P53985 2/20 0.36
HTR4 Q13639 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 2/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MAPT P10636 1/20 0.36
ALK Q9UM73 2/20 0.36
EGFR P00533 1/20 0.36
GAK O14976 1/20 0.36
RORC P51449 1/20 0.35
PLK1 P53350 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 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
SCHEMBL21847022 0.85 LGMN (0.42) LGMNIP6K1SLC16A3SLC16A1HTR4
SCHEMBL3754728 0.80 GFER (0.50) ALDH1A1MAPTRORCADRA2C
SCHEMBL12337622 0.80 LGMN (0.41) LGMNHSD11B1ALKEGFRGAK
SCHEMBL7209201 0.79 LGMN (0.51) LGMNIP6K1MAPTGAKPLK1
SCHEMBL310055 0.79 SUV39H2 (0.45) ALDH1A1ALKEGFRPLK1
SCHEMBL29661369 0.79 SUV39H2 (0.45) ALDH1A1ALKEGFRPLK1
Hydrochloric Acid SCHEMBL29367159 0.78 SUV39H2 (0.44) ALDH1A1ALKEGFRPLK1
SCHEMBL12856205 0.77 LGMN (0.51) LGMNIP6K1HTR4ALDH1A1MAPT
SCHEMBL12312271 0.77 GAK (0.53) LGMNALDH1A1MAPTGAK
SCHEMBL12428891 0.76 ALDH1A1 (0.41) LGMNALDH1A1MAPTGAKCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 LGMN 3473/4885IP6K1 215/4885SLC16A3 3169/4885

“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.