SCHEMBL101763

SCHEMBL101763

C#CCCc1nc(-c2ccccc2CC)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HTR1A P08908 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
GAA P10253 3/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL102485 0.84 SMN1; SMN2 (0.48) ATMNPSR1TP53HPGDL3MBTL1
SCHEMBL102362 0.83 ATM (0.60) ATMNPSR1TP53HDAC1HDAC2
SCHEMBL102064 0.82 LMNA (0.51) ATMTP53ALDH1A1HPGDLMNA
SCHEMBL104391 0.81 ALDH1A1 (0.56) NPSR1KDM4ETP53ALDH1A1HPGD
SCHEMBL101613 0.81 ALDH1A1 (0.44) ATMNPSR1KDM4ETP53HDAC1
SCHEMBL102794 0.80 AKR1B1 (0.45) ATMNPSR1HDAC1HDAC2HDAC8
SCHEMBL101307 0.80 S1PR1 (0.44) ATMNPSR1KDM4ETP53HDAC1
SCHEMBL102897 0.78 ATM (0.46) ATMNPSR1TP53HDAC1HDAC2
SCHEMBL101766 0.78 NPC1 (0.40) ATMNPSR1KDM4ETP53ALDH1A1
SCHEMBL103077 0.78 ATM (0.48) ATMNPSR1HDAC1HDAC2HDAC8

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 ATM 3956/4885NPSR1 123/4885KDM4E 1750/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ATM 3987/4885NPSR1 102/4885KDM4E 1986/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ATM 3956/4885NPSR1 123/4885KDM4E 1750/4885

“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.