SCHEMBL15034103

SCHEMBL15034103

COc1ccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)(C)C2)nc1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
CFTR P13569 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
GRM5 P41594 4/20 0.36
CCKAR P32238 2/20 0.36
MGLL Q99685 1/20 0.36
SLC6A7 Q99884 1/20 0.36
TACR3 P29371 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL15034059 0.89 CFTR (0.40) MAPTPOLBCFTRSMN1; SMN2TSHR
SCHEMBL15034041 0.88 GRM5 (0.39) MAPTPOLBCFTRSMN1; SMN2TSHR
SCHEMBL15034065 0.87 CFTR (0.38) MAPTPOLBCFTRSMN1; SMN2TSHR
SCHEMBL15034062 0.87 GRM5 (0.47) MAPTPOLBSMN1; SMN2GRM5CCKAR
SCHEMBL15034055 0.85 CCKAR (0.39) MAPTPOLBCFTRSMN1; SMN2TSHR
SCHEMBL15034042 0.85 GRM5 (0.40) MAPTPOLBCFTRSMN1; SMN2TSHR
SCHEMBL15034064 0.85 CCKAR (0.41) MAPTPOLBCFTRSMN1; SMN2TSHR
SCHEMBL15034076 0.85 SLC6A7 (0.39) MAPTPOLBCFTRGRM5MGLL
SCHEMBL15034044 0.85 MGLL (0.37) MAPTPOLBCFTRSMN1; SMN2TSHR
SCHEMBL15019975 0.84 GRM5 (0.41) MAPTPOLBCFTRSMN1; SMN2TSHR

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 MAPT 270/4885POLB 4052/4885CFTR 3753/4885

“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.