SCHEMBL15033957

SCHEMBL15033957

COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCc4nc(C)oc4C3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A3 P47895 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 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
SCHEMBL15033930 0.91 MAPT (0.42) GRM5ALDH1A1MAPTMAPK1RAB9A
SCHEMBL15033995 0.86 GRM5 (0.54) GRM5
SCHEMBL15033987 0.86 GRM5 (0.42) GRM5MAPTMAPK1TSHRLMNA
SCHEMBL15033994 0.85 GRM5 (0.46) GRM5
SCHEMBL15033971 0.84 GRM5 (0.43) GRM5ALDH1A1MAPTTSHRRAB9A
SCHEMBL15033970 0.82 GRM5 (0.49) GRM5ALDH1A1MAPTMAPK1RAB9A
SCHEMBL15034556 0.78 SMN1; SMN2 (0.51) GRM5ALDH1A1MAPTMAPK1TSHR
SCHEMBL15034006 0.77 ALDH1A3 (0.50) ALDH1A1MAPTMAPK1RAB9AALDH1A3
SCHEMBL15034557 0.77 POLB (0.46) GRM5ALDH1A1MAPTMAPK1TSHR
SCHEMBL15034555 0.77 GRM5 (0.54) GRM5ALDH1A1MAPTMAPK1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791117-B1 4-ARYL IMIDAZOLE DERIVATIVES AS MGLU5 POSITIVE ALLESTERIC MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP 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-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
WO-2013087807-A1 4-ARYL IMIDAZOLE DERIVATIVES AS MGLU5 POSITIVE ALLESTERIC MODIULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO 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 1/4885ALDH1A1 3660/4885MAPT 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.