SCHEMBL4515404

SCHEMBL4515404

COc1nccnc1-c1ccc(N2CC(C)OC(C)C2)c(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.45
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
GAK O14976 5/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
MTOR P42345 1/20 0.34

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
SCHEMBL2213873 0.83 LRRK2 (0.40) LRRK2TSHRNPSR1KDM4EHTT
SCHEMBL2215943 0.83 KDM4E (0.39) LRRK2TSHRNPSR1KDM4EHTT
SCHEMBL4509999 0.77 KDM4E (0.41) LRRK2KDM4EHTTPDE3BPDE3A
SCHEMBL2215831 0.71 KDM4E (0.40) LRRK2TSHRNPSR1KDM4EHTT
SCHEMBL12703547 0.71 ALDH1A1 (0.45) TSHRNPSR1KDM4EHTTPDE3B
SCHEMBL12703984 0.70 TP53 (0.48) TSHRNPSR1KDM4EPDE3BPDE3A
SCHEMBL2211823 0.70 TSHR (0.42) LRRK2TSHRNPSR1KDM4EHTT
SCHEMBL1591119 0.70 KDM4E (0.44) TSHRNPSR1KDM4EHTTPDE3B
SCHEMBL1591596 0.70 KDM4E (0.44) TSHRNPSR1KDM4EHTTPDE3B
SCHEMBL13268622 0.70 ALDH1A1 (0.42) TSHRNPSR1KDM4EHTTPDE3B

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-2620439-A1 8-pyrazinyl-S-spiropyrimidinetrione-oxazinoquinoline derivatives as antibacterial agents PAH USA 15 LLC (US) 2013-07-31 EP disclosed
US-20090275536-A1 Antibacterial Agents PFIZER INC 2009-11-05 US disclosed
US-7557100-B2 Antibacterial agents PFIZER INC. (US) 2009-07-07 US disclosed
EP-1971612-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS Pfizer Products Inc. (US) 2008-09-24 EP disclosed
US-20070197518-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-23 US disclosed
WO-2007072151-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 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 (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-20090275536-A1 Antibacterial Agents CLPP, MRPL21, SPOUT1 LRRK2 2800/4885TSHR 4760/4885NPSR1 4483/4885
US-20070197518-A1 Antibacterial agents CLPP, MRPL21, SPOUT1 LRRK2 2800/4885TSHR 4760/4885NPSR1 4483/4885

“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.