SCHEMBL103671

SCHEMBL103671

Cc1cccn2cc(CO)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 7/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 9/20 0.55
MAPK1 P28482 2/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 6/20 0.53
HPGD P15428 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
GAA P10253 1/20 0.51
PDE10A Q9Y233 1/20 0.49
PKM P14618 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
SCHEMBL9570481 0.84 RAB9A (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL103116 0.84 RAB9A (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7112860 0.83 RAB9A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9570110 0.83 RAB9A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9570359 0.81 KDM4E (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL29899398 0.81 RAB9A (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12092516 0.81 RAB9A (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL29899408 0.81 RAB9A (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23320338 0.81 MAPK1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14736747 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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 14 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
CN-102993084-A Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2013-03-27 CN disclosed
EP-1765795-B1 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2013-03-06 EP disclosed
CN-101001846-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-11-07 CN 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
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN 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
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 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 NPC1 949/4885RAB9A 1458/4885SMN1; SMN2 881/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NPC1 817/4885RAB9A 1309/4885SMN1; SMN2 1094/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 NPC1 949/4885RAB9A 1458/4885SMN1; SMN2 881/4885

“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.