SCHEMBL6420802

SCHEMBL6420802

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
EPHX1 P07099 1/20 0.47
GAA P10253 1/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMYD3 Q9H7B4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL15014593 0.83 EPHX1 (0.48) KMT2AEPHX1GAARAB9ANPC1
SCHEMBL15014614 0.83 EPHX1 (0.48) KMT2AEPHX1GAARAB9ANPC1
SCHEMBL14748218 0.81 EPHX1 (0.47) KMT2AEPHX1GAARAB9ANPC1
SCHEMBL556372 0.80 EPHX1 (0.46) KMT2AEPHX1GAARAB9ANPC1
SCHEMBL556878 0.80 KMT2A (0.47) KMT2AEPHX1GAARAB9ANPC1
SCHEMBL991949 0.79 EPHX1 (0.52) KMT2AEPHX1GAARAB9ANPC1
SCHEMBL14492250 0.79 EPHX1 (0.52) KMT2AEPHX1GAARAB9ANPC1
SCHEMBL15085653 0.79 SMYD3 (0.56) RAB9ASMYD3CYP3A4HPGDCYP2C19
SCHEMBL6876246 0.79 SMYD3 (0.56) RAB9ASMYD3CYP3A4HPGDCYP2C19
SCHEMBL14492252 0.76 EPHX1 (0.53) EPHX1GAARAB9ANPC1SMN1; SMN2

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 KMT2A 2078/4885EPHX1 1179/4885GAA 3711/4885

“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.