SCHEMBL10190641

SCHEMBL10190641

O=C1CCCc2cc(C#Cc3ccc(F)cc3F)ccc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.66
NR3C2 P08235 1/20 0.46
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
PRKCI P41743 1/20 0.43
HSD17B1 P14061 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL10190634 0.86 GRM5 (0.75) GRM5MAOAMAOBPRKCIHSD17B1
SCHEMBL10190633 0.85 GRM5 (0.70) GRM5MAOAMAOBPRKCIHSD17B1
SCHEMBL10190645 0.82 GRM5 (0.68) GRM5MAOAMAOBPRKCIHSD17B1
SCHEMBL504632 0.80 GRM5 (1.00) GRM5NR3C2
SCHEMBL10190638 0.78 GRM5 (0.64) GRM5MAOAMAOBPRKCIHSD17B1
SCHEMBL315877 0.78 MAOA (0.61) GRM5MAOAMAOBPRKCIHSD17B1
SCHEMBL24570906 0.77 GRM5 (0.68) GRM5HSD17B1
SCHEMBL30584430 0.77 GRM5 (0.68) GRM5HSD17B1
SCHEMBL10190614 0.76 GRM5 (1.00) GRM5MAOAMAOBPRKCI
SCHEMBL10190640 0.75 GRM5 (0.70) GRM5MAOAMAOBPRKCIHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 US disclosed
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 US disclosed
US-8034806-B2 Bicyclic mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2011-10-11 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-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 GRM5 1/4885NR3C2 810/4885MAOA 3858/4885
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 GRM5 1/4885NR3C2 810/4885MAOA 3858/4885

“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.