SCHEMBL15034044

SCHEMBL15034044

COc1nc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)cc2cc(F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.37
CFTR P13569 1/20 0.35
CCKAR P32238 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
F2RL1 P55085 1/20 0.34
SLC6A7 Q99884 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KIT P10721 1/20 0.32
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NOD2 Q9HC29 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL15034055 0.92 CCKAR (0.39) MGLLCFTRCCKARLMNAPOLB
SCHEMBL15034065 0.91 CFTR (0.38) MGLLCFTRCCKARLMNAPOLB
SCHEMBL15034059 0.90 CFTR (0.40) MGLLCFTRCCKARLMNAPOLB
SCHEMBL15034103 0.85 MAPT (0.42) MGLLCFTRCCKARPOLBMAPT
SCHEMBL15034167 0.84 CFTR (0.40) MGLLCFTRPOLBMAPTF2RL1
SCHEMBL15034116 0.84 CFTR (0.42) MGLLCFTRCCKARLMNAPOLB
SCHEMBL15034058 0.83 MAPT (0.35) MGLLCFTRCCKARLMNAPOLB
SCHEMBL15034042 0.83 GRM5 (0.40) MGLLCFTRCCKARPOLBMAPT
SCHEMBL15020101 0.83 CFTR (0.37) MGLLCFTRCCKARLMNAF2RL1
SCHEMBL15034109 0.82 TSHR (0.35) MGLLCFTRCCKARLMNAPOLB

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 2123/4885CFTR 3753/4885CCKAR 460/4885

“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.