SCHEMBL99604

SCHEMBL99604

Cc1ccc2oc(CCC#Cc3ccccn3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
MAPT P10636 5/20 0.44
GRM5 P41594 5/20 0.42
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 5/20 0.41
CASP3 P42574 3/20 0.41
SENP7 Q9BQF6 3/20 0.41
SENP6 Q9GZR1 3/20 0.41
SENP8 Q96LD8 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 5/20 0.39
TP53 P04637 3/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL103321 0.91 KDM4E (0.57) KDM4EMAPTGRM5RAB9ANPC1
SCHEMBL102039 0.86 MEN1 (0.50) KDM4EMAPTGRM5RAB9ANPC1
SCHEMBL102474 0.86 GRM5 (0.49) KDM4EMAPTGRM5RAB9ANPC1
SCHEMBL103136 0.85 NPC1 (0.55) KDM4EMAPTGRM5RAB9ANPC1
SCHEMBL103995 0.84 GRM5 (0.38) KDM4EMAPTGRM5RAB9ANPC1
Hydrochloric Acid SCHEMBL103138 0.84 NPC1 (0.54) KDM4EMAPTGRM5RAB9ANPC1
SCHEMBL101293 0.79 GRM5 (0.49) KDM4EMAPTGRM5RAB9ANPC1
SCHEMBL101635 0.79 NPC1 (0.41) KDM4EMAPTGRM5RAB9ANPC1
SCHEMBL102670 0.79 GRM5 (0.43) MAPTGRM5RAB9ANPC1POLB
SCHEMBL103358 0.78 GRM5 (0.42) MAPTGRM5RAB9ANPC1PDE10A

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 KDM4E 1750/4885MAPT 1113/4885GRM5 1/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 KDM4E 1986/4885MAPT 630/4885GRM5 1/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KDM4E 1750/4885MAPT 1113/4885GRM5 1/4885

“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.