SCHEMBL2533740

SCHEMBL2533740

CC(C)C(=O)N1CCN(c2ccc(N)cc2Cl)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
LMNA P02545 6/20 0.64
MAPT P10636 9/20 0.57
KDM4E B2RXH2 1/20 0.57
RAD52 P43351 1/20 0.57
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
HTT P42858 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
NPSR1 Q6W5P4 7/20 0.51
NTSR1 P30989 1/20 0.51
TSHR P16473 4/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL3093997 0.84 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKDM4ECYP1A2
SCHEMBL10823814 0.84 MAPT (0.62) ALDH1A1LMNAMAPTKDM4ERAD52
SCHEMBL2533147 0.82 ALDH1A1 (0.60) ALDH1A1LMNAMAPTKDM4ERAD52
SCHEMBL21084411 0.82 POLB (0.60) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL29462024 0.82 POLB (0.60) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL15358686 0.79 ALDH1A1 (0.81) ALDH1A1LMNAMAPTKDM4ERAD52
SCHEMBL2530564 0.79 ALDH1A1 (1.00) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL13114783 0.78 MAPT (0.60) ALDH1A1LMNAMAPTKDM4ERAD52
SCHEMBL993225 0.78 MAPT (0.55) ALDH1A1LMNAMAPTKDM4ERAD52
SCHEMBL29508821 0.78 MAPT (0.55) ALDH1A1LMNAMAPTKDM4ERAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524726-B2 Amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-30 US disclosed
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-23 US disclosed
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 US disclosed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 US disclosed
EP-2181091-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2010-05-05 EP disclosed
WO-2009010454-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 WO 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 (4 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-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ALDH1A1 4659/4885LMNA 4614/4885MAPT 1940/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ALDH1A1 4659/4885LMNA 4614/4885MAPT 1940/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 ALDH1A1 4659/4885LMNA 4614/4885MAPT 1940/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ALDH1A1 4659/4885LMNA 4614/4885MAPT 1940/4885

“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.