SCHEMBL15033935

SCHEMBL15033935

Cc1cc(-c2cn(-c3ccc(F)cc3)c(CC(=O)O)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.43
SRC P12931 2/20 0.43
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GRIN2B Q13224 1/20 0.38
AGER Q15109 1/20 0.38

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
SCHEMBL15034007 0.92 ALDH1A1 (0.49) GRM5SRCALDH1A1PTGS1PTGS2
SCHEMBL15046477 0.91 GRM5 (0.43) GRM5SRCGABRA2GABRB2ALDH1A1
SCHEMBL15046474 0.90 ALDH1A1 (0.45) GRM5SRCGABRA2GABRB2ALDH1A1
SCHEMBL15033933 0.89 PTGS1 (0.41) GRM5GABRA2GABRB2ALDH1A1PTGS1
SCHEMBL15033983 0.87 GABRA2 (0.48) GRM5SRCGABRA2GABRB2ALDH1A1
SCHEMBL15033978 0.87 GABRA2 (0.43) GABRA2GABRB2PTGS1PTGDR2MAPT
SCHEMBL15034001 0.86 MAPT (0.51) GABRA2GABRB2PTGS1MAPTAGER
SCHEMBL15019885 0.85 GABRA2 (0.42) GABRA2GABRB2PTGS1PTGDR2MAPT
SCHEMBL15046450 0.83 ALDH1A1 (0.55) GRM5SRCALDH1A1MAPTCA1
SCHEMBL15034000 0.81 ALDH1A1 (0.48) GRM5SRCGABRA2GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791118-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
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-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
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 (2 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 1/4885SRC 4087/4885GABRA2 84/4885
US-20130158038-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 GRM5 1/4885SRC 4137/4885GABRA2 85/4885

“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.