SCHEMBL15034002

SCHEMBL15034002

COc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4cccc(C#N)c4)C(=O)C3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.58
SCN9A Q15858 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
KCNQ1 P51787 1/20 0.35
ENPP2 Q13822 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL15033940 0.92 GRM5 (0.62) GRM5SCN9AMAPTFNTAFNTB
SCHEMBL15033990 0.92 GRM5 (0.47) GRM5SCN9ASMN1; SMN2MEN1HPGD
SCHEMBL15033929 0.87 GRM5 (0.47) GRM5SCN9ASMN1; SMN2MEN1HPGD
SCHEMBL15033973 0.79 GRM5 (0.54) GRM5SCN9ASMN1; SMN2MAPTALDH1A1
SCHEMBL15034523 0.75 GRM5 (0.53) GRM5SCN9ASMN1; SMN2MEN1HPGD
SCHEMBL15025209 0.73 GRM5 (1.00) GRM5
SCHEMBL15034530 0.73 L3MBTL1 (0.52) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15034553 0.73 L3MBTL1 (0.52) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15034527 0.73 HSD17B10 (0.59) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15034526 0.73 GRM5 (0.52) 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 1/4885SCN9A 2669/4885SMN1; SMN2 2379/4885

“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.