SCHEMBL4529797

SCHEMBL4529797

O=C(O)[C@H](Cc1ccccc1)NN1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MME P08473 1/20 0.47
SLC6A3 Q01959 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL4529791 1.00 POLB (0.49) POLBSLC6A2SLC6A4ITGB3ITGA2B
SCHEMBL25386615 0.91 POLB (0.56) POLBL3MBTL1MMENPSR1ALDH1A1
SCHEMBL7406797 0.86 ALDH1A1 (0.54) POLBMMENPSR1ALDH1A1HSD17B10
SCHEMBL7406800 0.86 ALDH1A1 (0.54) POLBMMENPSR1ALDH1A1HSD17B10
SCHEMBL5565030 0.85 MAPT (0.49) POLBSLC6A2SLC6A4NPSR1KMT2A
SCHEMBL4698163 0.84 ALDH1A1 (0.53) POLBMMENPSR1ALDH1A1HSD17B10
SCHEMBL4698160 0.84 ALDH1A1 (0.53) POLBMMENPSR1ALDH1A1HSD17B10
SCHEMBL6753269 0.82 KMT2A (0.55) POLBMMENPSR1ALDH1A1HSD17B10
SCHEMBL6753268 0.82 KMT2A (0.55) POLBMMENPSR1ALDH1A1HSD17B10
SCHEMBL28296642 0.80 SLC6A4 (0.37) POLBSLC6A2SLC6A4ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066471-A2 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING AN ANTHRAX TOXIN MEDIATED CONDITION IN A SUBJECT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-05-10 WO disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 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 (3 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R POLB 2338/4885SLC6A2 401/4885SLC6A4 756/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R POLB 2338/4885SLC6A2 401/4885SLC6A4 756/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R POLB 1584/4885SLC6A2 325/4885SLC6A4 417/4885

“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.