SCHEMBL103454

SCHEMBL103454

C#CCCC(=O)N(C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PYCR1 P32322 1/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BCL2A1 Q16548 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34

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
SCHEMBL103300 0.82 MAOA (0.36) ALDH1A1HTTRAB9ASMN1; SMN2MAOA
SCHEMBL102468 0.82 HTR3E (0.48) ALDH1A1HTTRAB9ASMN1; SMN2MAOA
SCHEMBL105773 0.81 ALDH1A1 (0.39) ALDH1A1HTTRAB9ASMN1; SMN2MAOA
SCHEMBL103633 0.76 PTGDR2 (0.43) ALDH1A1HTTRAB9ASMN1; SMN2MAPT
SCHEMBL102160 0.74 KCNQ4 (0.36) RAB9ANPC1LTB4R2PYCR1
SCHEMBL11332983 0.73 MAOA (0.42) ALDH1A1HTTRAB9ASMN1; SMN2MAOA
SCHEMBL25455111 0.72 ALDH1A1 (0.76) ALDH1A1HTTRAB9ASMN1; SMN2MAOA
SCHEMBL101719 0.68 POLQ (0.48) ALDH1A1LMNAGAANPSR1
SCHEMBL11684840 0.68 HTR3E (0.46) ALDH1A1HTTRAB9ASMN1; SMN2MAPT
SCHEMBL11332979 0.68 ALDH1A1 (0.48) ALDH1A1HTTRAB9ASMN1; SMN2MAOA

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 ALDH1A1 2153/4885HTT 932/4885RAB9A 1458/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 2496/4885HTT 910/4885RAB9A 1309/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ALDH1A1 2153/4885HTT 932/4885RAB9A 1458/4885

“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.