SCHEMBL402540

SCHEMBL402540

O=CN(OCc1ccccc1)[C@@H]1[C@H](O)CCN1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
SCN9A Q15858 2/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.39
CXCR3 P49682 1/20 0.39
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
HSD11B1 P28845 1/20 0.38
CHRM4 P08173 2/20 0.38
MGLL Q99685 1/20 0.38
LSS P48449 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL9925879 0.80 CHRM4 (0.43) CHRM2CHRM1SCN9APTGDR2CXCR3
SCHEMBL1105484 0.76 CHRM2 (0.45) CHRM2CHRM1SCN9AFAAHEPHX2
SCHEMBL1109081 0.76 CHRM2 (0.45) CHRM2CHRM1SCN9AFAAHEPHX2
SCHEMBL12064329 0.76 CHRM2 (0.45) CHRM2CHRM1SCN9AFAAHEPHX2
SCHEMBL399384 0.73 HSD11B1 (0.50) CHRM2CHRM1PTGDR2FAAHEPHX2
SCHEMBL12064387 0.73 HSD11B1 (0.50) CHRM2CHRM1PTGDR2FAAHEPHX2
SCHEMBL1109146 0.73 HSD11B1 (0.50) CHRM2CHRM1PTGDR2FAAHEPHX2
SCHEMBL5183121 0.68 CXCR3 (0.39) CHRM2CHRM1SCN9APTGDR2CXCR3
SCHEMBL9903924 0.67 MMP13 (0.47) EPHX2HSD11B1MGLLHRH3
SCHEMBL203227 0.67 MMP13 (0.47) EPHX2HSD11B1MGLLHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 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-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP 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
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 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 (8 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 4643/4885SCN9A 2172/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 CHRM2 4881/4885CHRM1 4865/4885SCN9A 3387/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885SCN9A 2172/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885SCN9A 2172/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885SCN9A 2172/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885SCN9A 2172/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885SCN9A 2172/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CHRM2 4835/4885CHRM1 4643/4885SCN9A 2172/4885

“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.