SCHEMBL2600266

SCHEMBL2600266

CBN1CCCC(c2cc(C)on2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 7/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ CHRNB2 P17787 3/20 0.35
▸ CHRNA3 P32297 3/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ PIK3C3 Q8NEB9 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ HTT P42858 1/20 0.32

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
SCHEMBL2600270 0.81 DRD2 (0.40) AVPR1AL3MBTL1EPHX2CHRNB2CHRNA3
SCHEMBL2600263 0.77 CHRNB2 (0.51) CHRNB2CHRNA3CHRNB4CHRNA7CHRNA4
SCHEMBL22796295 0.76 AVPR1A (0.46) AVPR1AKCNH2HTT
SCHEMBL22796297 0.76 AVPR1A (0.46) AVPR1ACHRNB2KCNH2CHRNA4HTT
SCHEMBL19626642 0.74 GAA (0.46) AVPR1ACHRNB2KCNH2CHRNA4HTT
SCHEMBL2600248 0.72 MAP4K4 (0.45) L3MBTL1CHRNB2CHRNA3HTT
SCHEMBL2600225 0.72 MAP4K4 (0.45) —
SCHEMBL3155325 0.72 — —
SCHEMBL13407529 0.69 CHRNB2 (0.33) CHRNB2CHRNA3CHRNB4CHRNA7CHRNA4
SCHEMBL19001361 0.68 CHRNB2 (0.58) EPHX2CHRNB2CHRNA3CHRNB4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 — — US disclosed
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-01-26 — — US disclosed
US-8030331-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2011-10-04 — — US disclosed
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-05-12 — — US disclosed
US-7834035-B2 Schizophrenia and related disorders; positive allosteric modulators of mGluR5; {3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-phenyl-methanone for example; compounds are all contain a 5-(1-carbonylpiperidin-3-yl)-1,2,4-oxadiazole moiety ADDEX PHARMA SA (CH) 2010-11-16 — — US disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 — — 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 (3 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-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM1 AVPR1A 293/4885L3MBTL1 2752/4885EPHX2 3284/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 AVPR1A 293/4885L3MBTL1 2752/4885EPHX2 3284/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 AVPR1A 293/4885L3MBTL1 2752/4885EPHX2 3284/4885

“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.

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