SCHEMBL1109142

SCHEMBL1109142

CC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(-c3ccc(C(=O)N[C@@H](CN)C(=O)NO)cc3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40
CHRM2 P08172 7/20 0.39
CHRM3 P20309 7/20 0.39
MCHR1 Q99705 2/20 0.39
CHRM1 P11229 6/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 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
SCHEMBL13654942 0.93 CHRM3 (0.42) L3MBTL1NPC1RAB9ACHRM2CHRM3
SCHEMBL404609 0.93 CHRM3 (0.42) L3MBTL1NPC1RAB9ACHRM2CHRM3
SCHEMBL10285902 0.87 L3MBTL1 (0.41) L3MBTL1NPC1TPSAB1TPSD1TPSG1
SCHEMBL13659485 0.86 ALDH1A1 (0.41) DRD2DRD4L3MBTL1NPC1RAB9A
SCHEMBL1109460 0.86 ALDH1A1 (0.41) DRD2DRD4L3MBTL1NPC1RAB9A
SCHEMBL1912207 0.86 ALDH1A1 (0.41) DRD2DRD4L3MBTL1NPC1RAB9A
SCHEMBL10285921 0.86 DRD2 (0.57) DRD2DRD4MCHR1CHRM1CYP2D6
SCHEMBL1912230 0.86 DRD2 (0.57) DRD2DRD4MCHR1CHRM1CYP2D6
SCHEMBL1912172 0.85 MCHR1 (0.48) L3MBTL1TPSAB1TPSD1TPSG1MCHR1
SCHEMBL1912174 0.83 SMYD3 (0.58) 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 9 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-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
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-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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 DRD2 3836/4885DRD4 2755/4885L3MBTL1 2665/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS DRD2 3836/4885DRD4 2755/4885L3MBTL1 2665/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS DRD2 3836/4885DRD4 2755/4885L3MBTL1 2665/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS DRD2 3836/4885DRD4 2755/4885L3MBTL1 2665/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS DRD2 3836/4885DRD4 2755/4885L3MBTL1 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.