SCHEMBL5447744

SCHEMBL5447744

O=c1ccc(OCC2CCCCC2)cn1Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 4/20 0.51
▸ MAOB P27338 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ PARP15 Q460N3 2/20 0.42
▸ PARP10 Q53GL7 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL4186691 0.78 PARP15 (0.58) GRM2PARP15PARP10HPGDLTA4H
SCHEMBL5442729 0.76 L3MBTL1 (0.47) HRH3LTA4H
SCHEMBL5184206 0.75 MEN1 (0.48) HRH3
SCHEMBL5437583 0.74 L3MBTL1 (0.45) HRH3LTA4H
SCHEMBL5194377 0.73 HRH3 (0.47) MAOBMAOAHRH3
SCHEMBL5448903 0.73 MAPK14 (0.54) MAOBMAOAHRH3
SCHEMBL5440765 0.72 L3MBTL1 (0.52) MAOBMAOAHRH3LTA4H
SCHEMBL5184227 0.69 MAPT (0.55) HPGD
SCHEMBL5437535 0.69 NPBWR1 (0.52) —
SCHEMBL3667235 0.69 PARP15 (0.55) PARP15PARP10LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US claimed
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US disclosed
US-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 — — US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 — — 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 (2 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-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 GRM2 1/4885MAOB 865/4885MAOA 1156/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 GRM2 1/4885MAOB 1020/4885MAOA 1344/4885

“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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