SCHEMBL15020153

SCHEMBL15020153

CC1(C)CN(C(=O)c2cccc(C3CCOCC3)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.38
CNR2 P34972 2/20 0.38
GRM5 P41594 4/20 0.37
SLC6A7 Q99884 1/20 0.34
AKR1C3 P42330 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 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 0.94 MGLL (0.40) MGLLCNR2GRM5SLC6A7MAPT
SCHEMBL15020523 0.93 MGLL (0.41) MGLLCNR2GRM5SLC6A7MAPT
SCHEMBL15034216 0.86 SMN1; SMN2 (0.38) MGLLALDH1A1LMNAMAPTNPC1
SCHEMBL15034224 0.86 CFTR (0.36) MGLLCNR2ALDH1A1MAPT
SCHEMBL15034230 0.86 MGLL (0.39) MGLLCNR2GRM5ALDH1A1MAPT
SCHEMBL15034154 0.85 MGLL (0.39) MGLLCNR2MAPT
SCHEMBL15034076 0.84 SLC6A7 (0.39) MGLLGRM5SLC6A7MAPT
SCHEMBL15034062 0.84 GRM5 (0.47) MGLLGRM5SLC6A7LMNAMAPT
SCHEMBL15020077 0.84 IRAK4 (0.39) MGLLCNR2GRM5SLC6A7AKR1C3
SCHEMBL15019498 0.84 GRM5 (0.39) MGLLGRM5SLC6A7MAPT

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 2123/4885CNR2 132/4885GRM5 1/4885

“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.