SCHEMBL14964149

SCHEMBL14964149

Bc1cc(N)ccc1N(CCC)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
ALDH3A1 P30838 3/20 0.39
ALDH1A3 P47895 2/20 0.39
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PSMD14 O00487 1/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCAR3 P49019 1/20 0.35
MAPT P10636 4/20 0.33
PRKCI P41743 1/20 0.33
GAA P10253 4/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2271341 0.81 ALDH1A1 (0.42) ALDH1A1ALDH3A1ALDH1A3TSHRMAPK1
Ammonia Solution, Strong SCHEMBL6402318 0.79 ALDH1A1 (0.41) ALDH1A1ALDH3A1ALDH1A3TSHRMAPK1
SCHEMBL6816877 0.78 ALDH3A1 (0.58) ALDH1A1ALDH3A1ALDH1A3TSHRMAPK1
SCHEMBL15263993 0.74 ALDH3A1 (0.50) ALDH1A1ALDH3A1ALDH1A3TSHRMAPK1
SCHEMBL17774772 0.73 HCAR3 (0.40) ALDH1A1ALDH3A1ALDH1A3CYP3A4RECQL
SCHEMBL14964150 0.71 ALDH3A1 (0.50) ALDH1A1ALDH3A1ALDH1A3TSHRMAPK1
SCHEMBL17774832 0.68 HCAR3 (0.37) ALDH1A1ALDH3A1ALDH1A3CYP3A4RECQL
SCHEMBL10810768 0.68 ALDH3A1 (0.47) ALDH3A1ALDH1A3TSHRCYP3A4MAPT
SCHEMBL14944306 0.67 ALDH3A1 (0.35) ALDH1A1ALDH3A1ALDH1A3TSHRMAPK1
SCHEMBL33801 0.67 TDP1 (0.67) ALDH1A1TSHRMAPK1L3MBTL1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ALDH1A1 4659/4885ALDH3A1 3743/4885ALDH1A3 4009/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 ALDH1A1 4659/4885ALDH3A1 3743/4885ALDH1A3 4009/4885

“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.