SCHEMBL17205672

SCHEMBL17205672

C=C(CC(=O)NCCCCC)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.53
NAAA Q02083 1/20 0.50
EPHX1 P07099 6/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FAAH O00519 2/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
DPP7 Q9UHL4 1/20 0.43
SLC6A5 Q9Y345 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
SCHEMBL11234059 0.81 CASP2 (0.58) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL11234062 0.81 CASP2 (0.58) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL3351484 0.80 CASP2 (0.61) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL4068490 0.80 CASP2 (0.71) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL8603096 0.79 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL7749194 0.79 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL11725540 0.79 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL8597402 0.79 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL7749152 0.79 CASP2 (0.64) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL9580786 0.79 EPHX1 (0.54) CASP2NAAAEPHX1ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708334-B2 Substituted 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-07-18 US disclosed
EP-3134406-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS Dart Neuroscience (Cayman) Ltd (KY) 2017-03-01 EP disclosed
US-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE LLC 2017-02-16 US disclosed
WO-2015164520-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C] PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C] PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE, LLC (US) 2015-10-29 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 (1 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-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS GLRA1, GRIA3, GRIA4 CASP2 2659/4885NAAA 3823/4885EPHX1 1875/4885

“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.