SCHEMBL15034522

SCHEMBL15034522

COc1cnc(N2CCN(C(=O)Cc3nc(-c4ccc(C)cc4)cn3-c3ccc(F)cc3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
GFER P55789 1/20 0.45
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CCKAR P32238 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL15034530 0.95 L3MBTL1 (0.52) GRM5L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL15034553 0.91 L3MBTL1 (0.52) GRM5L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL15034517 0.89 GRM5 (0.58) GRM5L3MBTL1MAPTSMN1; SMN2HPGD
SCHEMBL15034523 0.88 GRM5 (0.53) GRM5L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL15034521 0.88 GRM5 (0.48) GRM5L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL15034529 0.87 L3MBTL1 (0.52) GRM5L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL15034518 0.87 GRM5 (0.53) GRM5L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL15034552 0.86 GRM5 (0.53) GRM5L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL15034551 0.85 GRM5 (0.51) GRM5L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL15034520 0.84 LMNA (0.42) GRM5L3MBTL1MAPTSMN1; SMN2MEN1

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-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-20130158038-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158038-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-20130158038-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 GRM5 1/4885L3MBTL1 3435/4885MAPT 281/4885

“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.