SCHEMBL15034033

SCHEMBL15034033

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.39
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
SLC6A7 Q99884 1/20 0.37
IRAK4 Q9NWZ3 10/20 0.36
GRM5 P41594 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL15034121 0.91 IRAK4 (0.37) MAPTIRAK4SMN1; SMN2
SCHEMBL15034073 0.91 MGLL (0.38) MGLLPOLBMAPTSLC6A7GRM5
SCHEMBL15034106 0.89 MGLL (0.39) MGLLPOLBMAPTSLC6A7GRM5
SCHEMBL15034076 0.88 SLC6A7 (0.39) MGLLPOLBMAPTSLC6A7GRM5
SCHEMBL15034062 0.88 GRM5 (0.47) MGLLPOLBMAPTSLC6A7GRM5
SCHEMBL15019498 0.87 GRM5 (0.39) MGLLPOLBMAPTSLC6A7IRAK4
SCHEMBL15034111 0.87 SLC6A7 (0.40) MGLLPOLBMAPTSLC6A7SMN1; SMN2
SCHEMBL15034112 0.86 MGLL (0.43) MGLLPOLBMAPTSLC6A7GRM5
SCHEMBL15034041 0.86 GRM5 (0.39) MGLLPOLBMAPTSLC6A7IRAK4
SCHEMBL15034035 0.86 MGLL (0.46) MGLLPOLBMAPTGRM5SMN1; 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 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 MGLL 2123/4885POLB 4052/4885MAPT 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.