SCHEMBL6420804

SCHEMBL6420804

CC1CCC(NC(=O)C(C)(N)N)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
ADRA2A P08913 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRNP P04156 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37

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
SCHEMBL14654944 0.88 EPHX1 (0.50) EPHX1RAB9ANPC1PKMALDH1A1
SCHEMBL14654898 0.88 EPHX1 (0.50) EPHX1RAB9ANPC1PKMALDH1A1
SCHEMBL13246733 0.83 EPHX1 (0.53) EPHX1RAB9ANPC1PKMALDH1A1
SCHEMBL26140573 0.83 EPHX1 (0.53) EPHX1RAB9ANPC1PKMALDH1A1
SCHEMBL15906201 0.82 EPHX1 (0.52) EPHX1RAB9ANPC1PKMALDH1A1
Hydrochloric Acid SCHEMBL29904533 0.82 EPHX1 (0.52) EPHX1RAB9ANPC1PKMALDH1A1
SCHEMBL25676344 0.80 EPHX1 (0.50) EPHX1RAB9ANPC1PKMALDH1A1
SCHEMBL25676313 0.80 EPHX1 (0.50) EPHX1RAB9ANPC1PKMALDH1A1
SCHEMBL14655013 0.79 EPHX1 (0.46) EPHX1RAB9ANPC1PKMALDH1A1
SCHEMBL25068274 0.79 PKM (0.47) EPHX1RAB9ANPC1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1742001-A Saturated quinoxaline derivatives and their use as metabotropic glutamate receptor ligands ASTRAZENECA AB (SE) 2006-03-01 CN disclosed
US-20050004130-A1 New metabotropic glutamate receptor compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2005-01-06 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 (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-20050004130-A1 New metabotropic glutamate receptor compounds GRM1, GRIN1, GRM2 EPHX1 1179/4885RAB9A 1927/4885NPC1 1341/4885

“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.