SCHEMBL15034032

SCHEMBL15034032

COc1cc(Br)cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
CFTR P13569 1/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
MGLL Q99685 5/20 0.36
SLC6A7 Q99884 1/20 0.35
CCKAR P32238 2/20 0.35
TSHR P16473 2/20 0.34
NOTUM Q6P988 1/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL15034042 0.93 GRM5 (0.40) GRM5CFTRMAPTPOLBMGLL
SCHEMBL15034045 0.91 KCNK3 (0.40) GRM5CFTRMAPTPOLBMGLL
SCHEMBL15034041 0.90 GRM5 (0.39) GRM5CFTRMAPTPOLBMGLL
SCHEMBL15019975 0.87 GRM5 (0.41) GRM5CFTRMAPTPOLBMGLL
SCHEMBL15034348 0.87 MAPT (0.42) GRM5CFTRMAPTPOLBMGLL
SCHEMBL15019498 0.87 GRM5 (0.39) GRM5CFTRMAPTPOLBMGLL
SCHEMBL15034060 0.84 GRM5 (0.39) GRM5CFTRMAPTPOLBMGLL
SCHEMBL15034086 0.84 KCNK3 (0.41) GRM5CFTRMAPTPOLBMGLL
SCHEMBL15034065 0.83 CFTR (0.38) GRM5CFTRMAPTPOLBMGLL
SCHEMBL15034103 0.83 MAPT (0.42) GRM5CFTRMAPTPOLBMGLL

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 GRM5 1/4885CFTR 3753/4885MAPT 270/4885

“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.