SCHEMBL5440765

SCHEMBL5440765

O=c1ccc(OCCc2ccccc2)cn1Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ MAOA P21397 3/20 0.45
▸ MAOB P27338 3/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ GPR84 Q9NQS5 2/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ VEGFA P15692 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.43
▸ PPARG P37231 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL5442729 0.83 L3MBTL1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2HRH3NPC1
SCHEMBL5437583 0.81 L3MBTL1 (0.45) L3MBTL1ALDH1A1SMN1; SMN2HRH3VEGFA
SCHEMBL31599546 0.79 MAPK14 (0.61) L3MBTL1ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL29161591 0.78 HRH3 (0.47) L3MBTL1ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL1064716 0.78 NPC1 (0.67) L3MBTL1FFAR1MAOAMAOBTAAR1
SCHEMBL5448903 0.77 MAPK14 (0.54) MAOAMAOBHRH3PPARD
SCHEMBL27772274 0.76 MAPT (0.63) ALDH1A1SMN1; SMN2RAB9ALMNASIGMAR1
SCHEMBL24820991 0.75 BRD4 (0.48) L3MBTL1ALDH1A1SMN1; SMN2HRH3RAB9A
SCHEMBL5440272 0.75 BRD4 (0.53) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL5194377 0.75 HRH3 (0.47) ALDH1A1SMN1; SMN2MAOAMAOBHRH3

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 L3MBTL1 4718/4885ALDH1A1 3403/4885SMN1; SMN2 1523/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 L3MBTL1 4818/4885ALDH1A1 2717/4885SMN1; SMN2 1675/4885

“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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