SCHEMBL15022233

SCHEMBL15022233

CC(C)c1cccc(C(=O)N2CCNC(C)(C)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.41
REN P00797 1/20 0.40
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
GNE Q9Y223 1/20 0.38
LANCL2 Q9NS86 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM5 P41594 2/20 0.34
SCN9A Q15858 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM3 P20309 2/20 0.33
SLC8A1 P32418 1/20 0.33
KDM5A P29375 2/20 0.33
HSD11B1 P28845 1/20 0.32
PTK6 Q13882 2/20 0.32

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
Trifluoroacetic Acid SCHEMBL15020112 0.92 REN (0.38) PRKCQRENPLD2PLD1GNE
SCHEMBL15046964 0.88 GNE (0.36) PRKCQRENGNELANCL2USP2
SCHEMBL15022384 0.81 REN (0.42) PRKCQRENGNELANCL2PIK3CA
SCHEMBL15020458 0.80 PTK6 (0.41) PRKCQRENPLD2PLD1GNE
SCHEMBL15019551 0.78 CNR2 (0.36) GNELANCL2USP2MAPK1SMN1; SMN2
SCHEMBL18474522 0.77 GNE (0.58) GNELANCL2USP2MAPK1SMN1; SMN2
SCHEMBL13466400 0.74 HTR2C (0.48) GNEMAPK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL15019466 0.74 PTK6 (0.40) PRKCQRENPLD2PLD1GNE
SCHEMBL15019973 0.72 F2RL1 (0.46) USP2MAPK1SMN1; SMN2
SCHEMBL18932404 0.72 GNE (0.41) GNELANCL2USP2MAPK1SMN1; SMN2

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
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
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 PRKCQ 417/4885REN 2440/4885PLD2 225/4885

“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.