SCHEMBL102701

SCHEMBL102701

C#CCCc1nc2c(C)ccc(C)c2s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
TLR8 Q9NR97 5/20 0.37
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TLR7 Q9NYK1 4/20 0.32
LMNA P02545 2/20 0.32
CCR6 P51684 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL102423 0.88 MEN1 (0.44) AHRTLR8MAPTKDM4ELMNA
SCHEMBL103829 0.78 ALDH1A1 (0.49) TLR8MAPTKDM4ELMNAMEN1
SCHEMBL102081 0.74 PDE10A (0.45) TLR8TLR7
SCHEMBL18873200 0.70 AHR (0.47) AHRMAPTKDM4ELMNACCR6
SCHEMBL103233 0.70 SMN1; SMN2 (0.35) TLR8MAPTKDM4ELMNAMEN1
SCHEMBL10271448 0.67 AHR (0.46) AHRTLR8MAPTKDM4ETLR7
SCHEMBL102576 0.66 SMN1; SMN2 (0.49) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL395785 0.66 AKR1A1 (0.40) TLR8MAPTKDM4ETLR7LMNA
SCHEMBL8085492 0.64 ALDH1A1 (0.50) AHRMAPTKDM4ELMNACCR6
SCHEMBL106320 0.64 ALDH1A1 (0.55) AHRMAPTLMNACCR6TSHR

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 7 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

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 AHR 1081/4885TLR8 1298/4885MAPT 1113/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 AHR 1034/4885TLR8 1225/4885MAPT 630/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 AHR 1081/4885TLR8 1298/4885MAPT 1113/4885

“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.