SCHEMBL102142

SCHEMBL102142

C#CCCn1nnc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
GLA P06280 1/20 0.71
SLC9A1 P19634 8/20 0.62
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MAPT P10636 2/20 0.58
EGLN3 Q9H6Z9 2/20 0.55
GRM2 Q14416 1/20 0.53
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL769428 0.82 RAB9A (0.61) TSHRGLASLC9A1NPC1RAB9A
SCHEMBL14796568 0.80 SLC9A1 (0.79) TSHRGLASLC9A1NPC1RAB9A
SCHEMBL104659 0.78 TSHR (0.63) TSHRGLASLC9A1NPC1RAB9A
SCHEMBL19848736 0.78 GLA (0.44) TSHRGLASLC9A1NPC1RAB9A
SCHEMBL15078635 0.77 TSHR (0.82) TSHRGLASLC9A1NPC1RAB9A
SCHEMBL2936169 0.77 SLC9A1 (0.68) TSHRGLASLC9A1NPC1RAB9A
SCHEMBL283896 0.77 SLC9A1 (1.00) TSHRGLASLC9A1NPC1RAB9A
SCHEMBL9736987 0.77 SLC9A1 (0.68) TSHRGLASLC9A1NPC1RAB9A
SCHEMBL731716 0.77 SLC9A1 (0.68) TSHRGLASLC9A1NPC1RAB9A
SCHEMBL5637028 0.77 SLC9A1 (0.80) TSHRGLASLC9A1NPC1RAB9A

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 TSHR 465/4885GLA 4691/4885SLC9A1 1006/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TSHR 454/4885GLA 4642/4885SLC9A1 1243/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 TSHR 465/4885GLA 4691/4885SLC9A1 1006/4885

“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.