SCHEMBL1759359

SCHEMBL1759359

O=C(c1ccc(I)cn1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PTK2 Q05397 1/20 0.49
HPGD P15428 5/20 0.47
ALDH1A1 P00352 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GNE Q9Y223 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42

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
SCHEMBL20254511 0.83 L3MBTL1 (0.50) L3MBTL1L3MBTL3SMN1; SMN2HRH3TDP1
SCHEMBL20254698 0.81 SMN1; SMN2 (0.44) L3MBTL1L3MBTL3SMN1; SMN2HPGDHRH3
SCHEMBL1860009 0.81 NPC1 (0.52) L3MBTL1L3MBTL3SMN1; SMN2PTK2HPGD
SCHEMBL16546002 0.80 TDP1 (0.63) L3MBTL1L3MBTL3SMN1; SMN2PTK2HPGD
SCHEMBL1872354 0.80 ALDH1A1 (0.59) L3MBTL1L3MBTL3SMN1; SMN2PTK2HPGD
SCHEMBL29618361 0.80 L3MBTL1 (0.50) L3MBTL1L3MBTL3SMN1; SMN2PTK2HPGD
SCHEMBL16408483 0.80 TDP1 (0.63) L3MBTL1L3MBTL3SMN1; SMN2PTK2HPGD
SCHEMBL1758990 0.80 L3MBTL1 (0.50) L3MBTL1L3MBTL3SMN1; SMN2PTK2HPGD
SCHEMBL29944135 0.80 HRH3 (0.54) L3MBTL1L3MBTL3SMN1; SMN2PTK2HPGD
SCHEMBL1507073 0.80 GRM5 (0.59) L3MBTL1L3MBTL3SMN1; SMN2PTK2HPGD

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
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
EP-2676958-B1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-01 EP disclosed
US-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-8802690-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
EP-2676958-A1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors Pfizer Inc. (US) 2013-12-25 EP disclosed
EP-2499139-B1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2013-12-11 EP disclosed
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. 2013-11-07 US disclosed
US-8507681-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2013-08-13 US disclosed
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2013-01-31 US disclosed
US-8288405-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-10-16 US disclosed
EP-2499140-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
EP-2499139-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-09-06 US disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 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-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB L3MBTL1 1686/4885L3MBTL3 3577/4885SMN1; SMN2 3302/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB L3MBTL1 1686/4885L3MBTL3 3577/4885SMN1; SMN2 3302/4885
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB L3MBTL1 1595/4885L3MBTL3 3484/4885SMN1; SMN2 3276/4885
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB L3MBTL1 1686/4885L3MBTL3 3577/4885SMN1; SMN2 3302/4885
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS ACACA, PC, ACACB L3MBTL1 1827/4885L3MBTL3 3411/4885SMN1; SMN2 3349/4885

“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.