SCHEMBL1105484

SCHEMBL1105484

O=C(NOCc1ccccc1)[C@H]1[C@H](O)CCN1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
CHRM1 P11229 1/20 0.45
FAAH O00519 1/20 0.41
EPHX2 P34913 1/20 0.41
CHRM4 P08173 8/20 0.41
SCN9A Q15858 1/20 0.41
LIPE Q05469 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MGLL Q99685 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL1109081 1.00 CHRM2 (0.45) CHRM2CHRM1FAAHEPHX2CHRM4
SCHEMBL12064329 1.00 CHRM2 (0.45) CHRM2CHRM1FAAHEPHX2CHRM4
SCHEMBL1909368 0.87 NPC1 (0.55) NPC1RAB9AACHEBACE1
SCHEMBL9903924 0.81 MMP13 (0.47) EPHX2HSD11B1MGLL
SCHEMBL203227 0.81 MMP13 (0.47) EPHX2HSD11B1MGLL
SCHEMBL2692091 0.81 MMP13 (0.47) EPHX2HSD11B1MGLL
SCHEMBL9925879 0.81 CHRM4 (0.43) CHRM2CHRM1FAAHEPHX2CHRM4
SCHEMBL12064387 0.81 HSD11B1 (0.50) CHRM2CHRM1FAAHEPHX2LIPE
SCHEMBL399384 0.81 HSD11B1 (0.50) CHRM2CHRM1FAAHEPHX2LIPE
SCHEMBL1109146 0.81 HSD11B1 (0.50) CHRM2CHRM1FAAHEPHX2LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (5 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885FAAH 2318/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885FAAH 2318/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885FAAH 2318/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885FAAH 2318/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885FAAH 2318/4885

“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.