SCHEMBL404609

SCHEMBL404609

CC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(C#Cc3ccc(C(=O)N[C@@H](CN)C(=O)NO)cc3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.42
CHRM2 P08172 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL13654942 1.00 CHRM3 (0.42) CHRM3CHRM2L3MBTL1NPC1RAB9A
SCHEMBL1109142 0.93 DRD2 (0.42) CHRM3CHRM2L3MBTL1NPC1RAB9A
SCHEMBL4892008 0.88 L3MBTL1 (0.41) CHRM3CHRM2L3MBTL1NPC1RAB9A
SCHEMBL400311 0.87 L3MBTL1 (0.40) L3MBTL1
SCHEMBL13654913 0.87 CHRM2 (0.42) CHRM3CHRM2
SCHEMBL436956 0.87 CHRM2 (0.42) CHRM3CHRM2
SCHEMBL403192 0.87 CHRM2 (0.42) CHRM3CHRM2
SCHEMBL405605 0.86 UTS2R (0.50) CHRM3CHRM2UTS2R
SCHEMBL404374 0.86 UTS2R (0.50) CHRM3CHRM2UTS2R
SCHEMBL404804 0.86 MCHR1 (0.40) L3MBTL1

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 17 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-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-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
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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-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-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 (6 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 CHRM3 4831/4885CHRM2 4835/4885L3MBTL1 2665/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CHRM3 4831/4885CHRM2 4835/4885L3MBTL1 2665/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CHRM3 4831/4885CHRM2 4835/4885L3MBTL1 2665/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CHRM3 4831/4885CHRM2 4835/4885L3MBTL1 2665/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CHRM3 4831/4885CHRM2 4835/4885L3MBTL1 2665/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CHRM3 4831/4885CHRM2 4835/4885L3MBTL1 2665/4885

“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.