SCHEMBL101866

SCHEMBL101866

Cc1ccc(-c2noc(CCC#Cc3ccccn3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 7/20 0.48
TSHR P16473 7/20 0.48
MAPK1 P28482 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 4/20 0.46
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4534120 0.90 RAB9A (0.52) TDP1L3MBTL1ATMSMN1; SMN2TSHR
SCHEMBL102368 0.88 NPC1 (0.51) TDP1L3MBTL1ATMSMN1; SMN2NPC1
SCHEMBL101484 0.88 ALDH1A1 (0.53) TDP1L3MBTL1SMN1; SMN2TSHRMAPK1
SCHEMBL101811 0.88 RAB9A (0.58) TDP1L3MBTL1SMN1; SMN2TSHRMAPK1
SCHEMBL102805 0.88 L3MBTL1 (0.58) TDP1L3MBTL1ATMSMN1; SMN2TSHR
SCHEMBL102404 0.85 SMN1; SMN2 (0.45) TDP1L3MBTL1SMN1; SMN2TSHRMAPK1
SCHEMBL100900 0.85 GRM5 (0.42) TDP1L3MBTL1SMN1; SMN2TSHRMAPK1
SCHEMBL102849 0.84 NPC1 (0.41) TDP1L3MBTL1ATMSMN1; SMN2TSHR
SCHEMBL4198996 0.84 SMN1; SMN2 (0.47) TDP1L3MBTL1SMN1; SMN2MAPK1NPSR1
SCHEMBL459699 0.83 S1PR1 (0.52) TDP1L3MBTL1SMN1; SMN2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TDP1 2938/4885L3MBTL1 3907/4885ATM 3956/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TDP1 3469/4885L3MBTL1 4070/4885ATM 3987/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 TDP1 2938/4885L3MBTL1 3907/4885ATM 3956/4885

“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.