SCHEMBL13522014

SCHEMBL13522014

CCc1nc(C2CCCN(C)C2)no1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
KCNH2 Q12809 2/20 0.39
MAP4K4 O95819 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
LDHA P00338 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL13722228 0.87 MAP4K4 (0.40) KCNH2MAP4K4POLBLMNAGAA
SCHEMBL17896790 0.85 MAP4K4 (0.53) KCNH2MAP4K4
SCHEMBL13522005 0.82 HCRTR1 (0.39) HCRTR1HCRTR2MAP4K4POLBLMNA
SCHEMBL18977639 0.81 POLB (0.42) HCRTR1HCRTR2POLBLMNAGAA
SCHEMBL19193199 0.81 POLB (0.44) HCRTR1HCRTR2POLBLMNAGAA
SCHEMBL6328563 0.80 LDHA (0.40) LMNATSHRLDHA
SCHEMBL2600250 0.80 MAP4K4 (0.47) KCNH2MAP4K4POLBLMNAGAA
SCHEMBL10177642 0.79 POLB (0.46) HCRTR1HCRTR2POLBLMNAGAA
SCHEMBL6431964 0.78 MIF (0.42) HCRTR1MAP4K4POLBLMNALDHA
SCHEMBL10120678 0.77 POLB (0.47) HCRTR1HCRTR2POLBLMNAGAA

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 HCRTR1 136/4885HCRTR2 167/4885KCNH2 792/4885

“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.