SCHEMBL15020102

SCHEMBL15020102

Cc1cccc(-n2cnc(C(=O)N3CCN[C@H](C)C3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
GFER P55789 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
REN P00797 2/20 0.42
HPGD P15428 4/20 0.41
USP30 Q70CQ3 2/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PAK4 O96013 1/20 0.38
PAK1 Q13153 1/20 0.38

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
SCHEMBL15019469 1.00 SMN1; SMN2 (0.44) SMN1; SMN2GFERHRH4RENHPGD
SCHEMBL15020823 1.00 SMN1; SMN2 (0.44) SMN1; SMN2GFERHRH4RENHPGD
SCHEMBL15020141 0.89 MGLL (0.45) HRH4RENHPGDUSP30MAPT
SCHEMBL15020177 0.89 MGLL (0.45) HRH4RENHPGDUSP30MAPT
SCHEMBL15020130 0.89 MGLL (0.45) HRH4RENHPGDUSP30MAPT
SCHEMBL15019928 0.88 MGLL (0.44) SMN1; SMN2HRH4RENUSP30TP53
SCHEMBL15019929 0.88 MGLL (0.44) SMN1; SMN2HRH4RENUSP30TP53
SCHEMBL15034020 0.88 HPGD (0.44) SMN1; SMN2GFERHPGDUSP30LMNA
SCHEMBL15020186 0.88 HRH4 (0.47) SMN1; SMN2HRH4RENUSP30MAPT
SCHEMBL15019923 0.78 HCRTR1 (0.41) SMN1; SMN2GFERUSP30MAPTTP53

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 SMN1; SMN2 2592/4885GFER 3007/4885HRH4 240/4885

“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.