SCHEMBL15033970

SCHEMBL15033970

COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCc4nc(C)sc4CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.49
RAB9A P51151 1/20 0.40
MAPT P10636 6/20 0.40
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ALDH1A3 P47895 2/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL15033951 0.91 GRM5 (0.46) GRM5RAB9AMAPTTP53LMNA
SCHEMBL15021049 0.88 GRM5 (0.51) GRM5SMN1; SMN2DPP4DPP8DPP9
SCHEMBL15033931 0.86 GRM5 (0.62) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033976 0.85 GRM5 (0.49) GRM5MAPTTP53SMN1; SMN2DPP4
SCHEMBL15033954 0.84 GRM5 (0.53) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033938 0.84 GRM5 (0.49) GRM5RAB9AMAPTTP53LMNA
SCHEMBL15033957 0.82 GRM5 (0.43) GRM5RAB9AMAPTTP53LMNA
SCHEMBL15033949 0.82 GRM5 (0.46) GRM5RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15033997 0.81 GRM5 (0.69) GRM5RAB9AALDH1A1DPP4DPP8
SCHEMBL15034556 0.80 SMN1; SMN2 (0.51) GRM5RAB9AMAPTTP53LMNA

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 1/4885RAB9A 732/4885MAPT 271/4885

“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.