SCHEMBL103298

SCHEMBL103298

C#CCCn1ncc(-c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.46
PTGIR P43119 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
CREBBP Q92793 1/20 0.38
GAA P10253 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
HSD11B1 P28845 1/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 5/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL101932 0.76 CYP11B2 (0.39) CYP11B2PTGIRSMN1; SMN2DRD4DRD3
SCHEMBL12175373 0.71 CREBBP (0.62) CYP11B2SMN1; SMN2DRD4DRD3DRD2
SCHEMBL10555147 0.71 PTGIR (0.55) CYP11B2PTGIRSMN1; SMN2GAAMAPT
SCHEMBL103215 0.70 PTGIR (0.39) PTGIRSMN1; SMN2DRD4DRD3DRD2
SCHEMBL12985515 0.70 SMN1; SMN2 (0.54) CYP11B2PTGIRSMN1; SMN2DRD4DRD3
SCHEMBL103799 0.68 CYP1A2 (0.71) SMN1; SMN2RAB9ANPC1L3MBTL1CYP1A2
SCHEMBL102258 0.67 L3MBTL1 (0.56) CREBBPRAB9AMAPTL3MBTL1
SCHEMBL11699508 0.67 CYP1A2 (0.51) PTGIRSMN1; SMN2GAARAB9ANPC1
SCHEMBL9045659 0.66 HTR1A (0.57) DRD4DRD3DRD2CYP1A2ALDH1A1
SCHEMBL25256950 0.66 TSHR (0.55) CYP11B2SMN1; SMN2DRD4DRD3DRD2

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-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
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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 (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 CYP11B2 2341/4885PTGIR 647/4885SMN1; SMN2 881/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 CYP11B2 2095/4885PTGIR 614/4885SMN1; SMN2 1094/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CYP11B2 2341/4885PTGIR 647/4885SMN1; SMN2 881/4885

“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.