SCHEMBL102774

SCHEMBL102774

C(#Cc1ccccn1)CCc1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
DRD2 P14416 7/20 0.48
DRD4 P21917 6/20 0.48
DRD3 P35462 6/20 0.48
HTR1A P08908 4/20 0.48
HTR7 P34969 4/20 0.48
ADRA2A P08913 2/20 0.48
ADRA2C P18825 2/20 0.48
SLC6A2 P23975 2/20 0.48
ADRA1A P35348 2/20 0.48
HRH1 P35367 2/20 0.48
HTR2B P41595 2/20 0.48
HTR2A P28223 2/20 0.48
ADRA2B P18089 1/20 0.48
DRD1 P21728 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL103429 0.86 GRM5 (0.50) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL101447 0.82 GRM5 (0.46) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL102312 0.82 DRD2 (0.53) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL101855 0.82 SMN1; SMN2 (0.48) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL101842 0.82 GRM5 (0.43) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL103658 0.82 UBE2T (0.43) RAB9ANPC1DRD2DRD3HTR1A
SCHEMBL103367 0.82 UBE2T (0.43) RAB9ANPC1DRD2HTR1AHTR7
SCHEMBL103079 0.82 GRM5 (0.59) RAB9ANPC1PDE10AUBE2TASIC3
SCHEMBL101888 0.80 PDE10A (0.43) RAB9ANPC1DRD2HTR1AHTR7
SCHEMBL395022 0.79 PDE10A (0.40) RAB9ANPC1DRD2DRD4DRD3

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-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP claimed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US claimed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 RAB9A 1458/4885NPC1 949/4885DRD2 295/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 RAB9A 1309/4885NPC1 817/4885DRD2 282/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 RAB9A 1458/4885NPC1 949/4885DRD2 295/4885

“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.