SCHEMBL15034096

SCHEMBL15034096

C#CCOc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
MGLL Q99685 4/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 6/20 0.37
SLC6A7 Q99884 1/20 0.37
ENPP2 Q13822 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
F10 P00742 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL15034043 0.89 MAPT (0.41) GRM5MGLLMAPTHPGDSLC6A7
SCHEMBL15034067 0.89 GRM5 (0.47) GRM5MGLLHPGDALDH1A1
SCHEMBL15019972 0.88 SLC6A7 (0.43) GRM5MGLLHPGDSLC6A7ALDH1A1
SCHEMBL15034061 0.86 MGLL (0.45) GRM5MGLLMAPTHPGDSLC6A7
SCHEMBL15034093 0.85 WNK1 (0.47) GRM5MGLLHPGDSLC6A7ALDH1A1
SCHEMBL15034098 0.84 MGLL (0.44) GRM5MGLLMAPTALDH1A1
SCHEMBL15020006 0.84 ALDH1A1 (0.44) GRM5MAPTHPGDSLC6A7ALDH1A1
SCHEMBL15034036 0.83 ALDH1A1 (0.44) GRM5MGLLHPGDSLC6A7ALDH1A1
SCHEMBL15034215 0.83 HPGD (0.43) GRM5MGLLHPGDSLC6A7ALDH1A1
SCHEMBL15034052 0.83 TSHR (0.43) GRM5MGLLMAPTHPGDSLC6A7

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-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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 (1 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-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 GRM5 1/4885MGLL 2123/4885MAPT 270/4885

“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.