SCHEMBL13522010

SCHEMBL13522010

CCc1noc(C2CCCN(C)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
KCNH2 Q12809 2/20 0.39
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HSD11B1 P28845 4/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
Oxalic Acid SCHEMBL10418863 0.93 HSD11B1 (0.42) EPHA2KDREPHB4RAB9ASMN1; SMN2
SCHEMBL8874613 0.91 GPR119 (0.37) EPHA2KDREPHB4RAB9ANPC1
SCHEMBL13722060 0.88 EPHA2 (0.41) EPHA2KDREPHB4KCNH2RAB9A
Oxalic Acid SCHEMBL9369618 0.86 CHRM2 (0.42) RAB9ASMN1; SMN2NPC1TSHRHSD11B1
SCHEMBL13522003 0.82 RAB9A (0.35) RAB9ASMN1; SMN2MAPK1GAANPC1
SCHEMBL12049807 0.81 GPR119 (0.40) EPHA2KDREPHB4RAB9ASMN1; SMN2
SCHEMBL6468604 0.81 RAB9A (0.41) RAB9ASMN1; SMN2MAPK1GAANPC1
SCHEMBL17909944 0.80 CHRM2 (0.48) RAB9ASMN1; SMN2NPC1TSHRHSD11B1
SCHEMBL660531 0.80 CHRM2 (0.48) RAB9ASMN1; SMN2NPC1TSHRHSD11B1
SCHEMBL12073942 0.79 RAB9A (0.47) RAB9ASMN1; SMN2MAPK1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM1, GRIK5 EPHA2 2938/4885KDR 4214/4885EPHB4 2664/4885

“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.