SCHEMBL2600270

SCHEMBL2600270

Cc1cc(C2CCCN(C)C2)no1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ AVPR1A P37288 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CHRNB2 P17787 3/20 0.38
▸ CHRNA3 P32297 3/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ HTR2A P28223 1/20 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
SCHEMBL2600266 0.81 AVPR1A (0.37) AVPR1AKCNH2L3MBTL1CHRNB2CHRNA3
SCHEMBL22796295 0.79 AVPR1A (0.46) AVPR1AKCNH2
SCHEMBL22796297 0.79 AVPR1A (0.46) AVPR1AKCNH2CHRNB2CHRNA4
SCHEMBL19626642 0.78 GAA (0.46) AVPR1AKCNH2CHRNB2CHRNA4
SCHEMBL3155325 0.75 — —
SCHEMBL2600265 0.75 CHRNB2 (0.59) DRD2DRD3CHRNB2CHRNA3CHRNB4
SCHEMBL19001361 0.74 CHRNB2 (0.58) CHRNB2CHRNA3CHRNB4CHRNA7CHRNA4
SCHEMBL6777065 0.72 LMNA (0.38) L3MBTL1
SCHEMBL12310294 0.71 SMYD3 (0.41) DRD2DRD3KCNH2SLC6A2SLC6A4
SCHEMBL24960552 0.70 HRH4 (0.45) AVPR1AKCNH2CHRNB2CHRNA4

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 DRD2 342/4885DRD3 483/4885AVPR1A 293/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 DRD2 342/4885DRD3 483/4885AVPR1A 293/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 DRD2 342/4885DRD3 483/4885AVPR1A 293/4885

“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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