SCHEMBL1687216

SCHEMBL1687216

CN1CCN(C(=O)n2ccnc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.55
MGLL Q99685 4/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
HRH4 Q9H3N8 2/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 1/20 0.38
TNFSF11 O14788 1/20 0.38
BCHE P06276 1/20 0.36

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
SCHEMBL1911804 0.86 FAAH (0.55) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL12713291 0.83 FAAH (0.55) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL30730242 0.83 FAAH (0.55) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL5648212 0.81 FAAH (0.54) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL19189322 0.81 FAAH (0.62) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL12706345 0.81 FAAH (0.51) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL2134675 0.80 FAAH (0.52) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL5645313 0.79 FAAH (0.49) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL2262506 0.79 ALDH1A1 (0.52) FAAHMGLLALDH1A1LMNA
SCHEMBL14141285 0.79 CYP19A1 (0.36) FAAHMGLLALDH1A1LMNAHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
EP-2484680-B1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-06-26 EP disclosed
EP-2484680-A1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors Basilea Pharmaceutica AG (CH) 2012-08-08 EP disclosed
EP-1965798-B1 USEFUL MONOBACTAM ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-10-19 EP disclosed
EP-2308874-A1 Useful beta-lactamase inhibitors Basilea Pharmaceutica AG (CH) 2011-04-13 EP disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
EP-1965798-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS Basilea Pharmaceutica AG (CH) 2008-09-10 EP disclosed
WO-2007065288-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2007-06-14 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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M FAAH 2060/4885MGLL 66/4885ALDH1A1 2194/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M FAAH 2060/4885MGLL 66/4885ALDH1A1 2194/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M FAAH 2192/4885MGLL 70/4885ALDH1A1 2423/4885

“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.