SCHEMBL15020523

SCHEMBL15020523

CC1(C)CN(C(=O)c2cccc(C3CCCC3)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.41
SLC6A7 Q99884 1/20 0.36
CNR2 P34972 6/20 0.36
GRM5 P41594 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33
KDM5A P29375 1/20 0.33
PDE2A O00408 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
SCHEMBL15034038 0.97 MGLL (0.40) MGLLSLC6A7CNR2GRM5MAPT
SCHEMBL15020153 0.93 MGLL (0.38) MGLLSLC6A7CNR2GRM5MAPT
SCHEMBL15034154 0.90 MGLL (0.39) MGLLCNR2MAPTPDE2A
SCHEMBL15034216 0.89 SMN1; SMN2 (0.38) MGLLMAPTHPGDPDE2A
SCHEMBL15034224 0.88 CFTR (0.36) MGLLCNR2MAPTPOLBHPGD
SCHEMBL15034230 0.88 MGLL (0.39) MGLLCNR2GRM5MAPTPOLB
SCHEMBL15034062 0.87 GRM5 (0.47) MGLLSLC6A7GRM5MAPTPOLB
SCHEMBL15034076 0.87 SLC6A7 (0.39) MGLLSLC6A7GRM5MAPTPOLB
SCHEMBL15019498 0.86 GRM5 (0.39) MGLLSLC6A7GRM5MAPTPOLB
SCHEMBL15034075 0.85 SLC6A7 (0.39) MGLLSLC6A7GRM5MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP 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-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
EP-2791130-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS Boehringer Ingelheim International GmbH (DE) 2014-10-22 EP disclosed
WO-2013087805-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO 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
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 MGLL 2123/4885SLC6A7 1222/4885CNR2 132/4885

“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.