SCHEMBL193113

SCHEMBL193113

Fc1ccc(C#CC2CCCNC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
HTR2B P41595 1/20 0.36
DRD3 P35462 1/20 0.35
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK13 O15264 1/20 0.34
RAF1 P04049 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK12 P53778 1/20 0.34
PAX8 Q06710 2/20 0.34

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
Hydrochloric Acid SCHEMBL193729 0.98 HTR2C (0.36) HTR2CDRD2HTR2AKCNH2FFAR1
Hydrochloric Acid SCHEMBL30836067 0.82 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2B
Hydrochloric Acid SCHEMBL31556498 0.72 HTR2A (0.45) HTR2CDRD2HTR2AKCNH2HTR2B
SCHEMBL2597848 0.72 SLC6A1 (0.42) PAX8
SCHEMBL4797241 0.69 DRD2 (0.33) DRD2DRD3
SCHEMBL9497272 0.69 FFAR1 (0.41) FFAR1FFAR4PAX8
SCHEMBL9497279 0.69 FFAR1 (0.41) FFAR1FFAR4PAX8
SCHEMBL25305280 0.68 HTR3A (0.53) HTR2CDRD2HTR2AKCNH2DRD3
SCHEMBL2145333 0.68 HTR3A (0.53) HTR2CDRD2HTR2AKCNH2DRD3
SCHEMBL24127465 0.68 HTR3A (0.53) HTR2CDRD2HTR2AKCNH2DRD3

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
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 US disclosed
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-01-26 US disclosed
EP-2030970-B1 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2012-01-04 EP disclosed
US-8030331-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2011-10-04 US disclosed
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-05-12 US disclosed
US-7834035-B2 Schizophrenia and related disorders; positive allosteric modulators of mGluR5; {3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-phenyl-methanone for example; compounds are all contain a 5-(1-carbonylpiperidin-3-yl)-1,2,4-oxadiazole moiety ADDEX PHARMA SA (CH) 2010-11-16 US disclosed
EP-2030970-A1 Allosteric modulators of metabotropic glutamate receptors ADDEX Pharma S.A. (CH) 2009-03-04 EP disclosed
EP-1685105-B1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2008-10-15 EP disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 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 (3 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-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM1 HTR2C 345/4885DRD2 342/4885HTR2A 249/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HTR2C 345/4885DRD2 342/4885HTR2A 249/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HTR2C 345/4885DRD2 342/4885HTR2A 249/4885

“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.