SCHEMBL405605

SCHEMBL405605

CC(=O)N[C@H]1CCN(Cc2ccc(C#Cc3ccc(C(=O)N[C@@H](CN)C(=O)NO)cc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.50
CHRM3 P20309 5/20 0.48
CHRM2 P08172 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
CCR2 P41597 1/20 0.44

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
SCHEMBL404374 1.00 UTS2R (0.50) UTS2RCHRM3CHRM2DRD2DRD4
SCHEMBL1912230 0.92 DRD2 (0.57) UTS2RDRD2DRD4
SCHEMBL10285921 0.92 DRD2 (0.57) UTS2RDRD2DRD4
SCHEMBL404609 0.86 CHRM3 (0.42) UTS2RCHRM3CHRM2
SCHEMBL13654942 0.86 CHRM3 (0.42) UTS2RCHRM3CHRM2
SCHEMBL404177 0.86 CHRM2 (0.48) CHRM3CHRM2
SCHEMBL436097 0.86 CHRM2 (0.48) CHRM3CHRM2
SCHEMBL401074 0.85 HDAC1 (0.49) UTS2R
SCHEMBL400494 0.85 HDAC1 (0.49) UTS2R
SCHEMBL400214 0.82 MBTD1 (0.49)

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 23 patents — showing the first 20. 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-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-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 UTS2R 3047/4885CHRM3 4831/4885CHRM2 4835/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS UTS2R 3047/4885CHRM3 4831/4885CHRM2 4835/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS UTS2R 3047/4885CHRM3 4831/4885CHRM2 4835/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS UTS2R 3047/4885CHRM3 4831/4885CHRM2 4835/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS UTS2R 3047/4885CHRM3 4831/4885CHRM2 4835/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS UTS2R 3047/4885CHRM3 4831/4885CHRM2 4835/4885

“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.