SCHEMBL15034555

SCHEMBL15034555

COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4cc(OC)ccn4)CC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
MAPK10 P53779 4/20 0.48
POLB P06746 2/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL15023697 0.93 GRM5 (0.53) GRM5MAPK10POLBRAB9ALMNA
SCHEMBL15034559 0.93 HPGD (0.52) GRM5MAPK10POLBRAB9ALMNA
SCHEMBL15034526 0.92 GRM5 (0.52) GRM5MAPK10POLBRAB9ALMNA
SCHEMBL15034518 0.91 GRM5 (0.53) GRM5POLBRAB9AALDH1A1MAPK1
SCHEMBL15034556 0.90 SMN1; SMN2 (0.51) GRM5POLBRAB9ALMNAALDH1A1
SCHEMBL15034554 0.90 POLB (0.44) GRM5MAPK10POLBRAB9ALMNA
SCHEMBL15034544 0.90 GRM5 (0.64) GRM5MAPK10POLBRAB9AALDH1A1
SCHEMBL15034538 0.88 GRM5 (0.55) GRM5MAPK10POLBRAB9AALDH1A1
SCHEMBL15034557 0.87 POLB (0.46) GRM5POLBRAB9ALMNAALDH1A1
SCHEMBL15034562 0.85 GRM5 (0.71) GRM5MAPK10ALDH1A1L3MBTL1HPGD

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 1/4885MAPK10 1228/4885POLB 3835/4885

“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.