SCHEMBL15033951

SCHEMBL15033951

COc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCc4nc(C)sc4CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 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
MAPT P10636 7/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL15021049 0.94 GRM5 (0.51) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033938 0.92 GRM5 (0.49) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033976 0.92 GRM5 (0.49) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033949 0.91 GRM5 (0.46) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033970 0.91 GRM5 (0.49) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033993 0.88 GRM5 (0.51) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033931 0.87 GRM5 (0.62) GRM5L3MBTL1DPP4DPP8DPP9
SCHEMBL15033954 0.85 GRM5 (0.53) GRM5L3MBTL1DPP4DPP8DPP9
SCHEMBL15033963 0.84 GRM5 (0.49) GRM5MEN1KMT2AMAPTMAPK1
SCHEMBL15033974 0.83 GRM5 (0.50) GRM5SMN1; SMN2MEN1HPGDKMT2A

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-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158011-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-20130158011-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GRM5 1/4885SMN1; SMN2 2379/4885MEN1 4793/4885

“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.