SCHEMBL15034076

SCHEMBL15034076

CC(=O)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.39
MGLL Q99685 4/20 0.39
GRM5 P41594 3/20 0.38
MAPT P10636 5/20 0.35
POLB P06746 2/20 0.35
CFTR P13569 1/20 0.35
HPGD P15428 1/20 0.34
TP53 P04637 2/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34
NOTUM Q6P988 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
SCHEMBL15034062 0.91 GRM5 (0.47) SLC6A7MGLLGRM5MAPTPOLB
SCHEMBL15034145 0.91 MAPT (0.40) MGLLMAPTPOLBCFTRHPGD
SCHEMBL15019498 0.90 GRM5 (0.39) SLC6A7MGLLGRM5MAPTPOLB
SCHEMBL15034041 0.89 GRM5 (0.39) SLC6A7MGLLGRM5MAPTPOLB
SCHEMBL15034038 0.88 MGLL (0.40) SLC6A7MGLLGRM5MAPTPOLB
SCHEMBL15034056 0.88 GRM5 (0.37) SLC6A7MGLLGRM5MAPTPOLB
SCHEMBL15034033 0.88 MGLL (0.39) SLC6A7MGLLGRM5MAPTPOLB
SCHEMBL15034075 0.88 SLC6A7 (0.39) SLC6A7MGLLGRM5MAPTPOLB
SCHEMBL15034060 0.88 GRM5 (0.39) SLC6A7MGLLGRM5MAPTPOLB
SCHEMBL15034086 0.87 KCNK3 (0.41) SLC6A7MGLLGRM5MAPTPOLB

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 SLC6A7 1222/4885MGLL 2123/4885GRM5 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.