Sugi Predict

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SCHEMBL102664

SCHEMBL102664

CC(C)(C)C(CC#Cc1ccccn1)C(=O)N(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.37
▸ NR1H2 P55055 1/20 0.35
▸ GRM5 P41594 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL103737 0.76 GRM5 (0.42) POLQGRM5KDM4EALDH1A1TSHR
SCHEMBL103390 0.71 GRM5 (0.38) POLQGRM5KDM4EALDH1A1FFAR1
SCHEMBL104380 0.68 GRM5 (0.42) POLQGRM5KDM4EALDH1A1FFAR1
SCHEMBL102666 0.67 POLQ (0.39) POLQGRM5FFAR1
SCHEMBL5310418 0.66 GRM5 (0.40) POLQNR1H2GRM5KDM4EALDH1A1
SCHEMBL102238 0.65 PTGDR2 (0.42) POLQGRM5FFAR1CYP3A4
SCHEMBL105893 0.65 GRM5 (0.39) POLQGRM5KDM4EALDH1A1FFAR1
SCHEMBL19120520 0.64 GRM5 (0.38) POLQGRM5KDM4EALDH1A1CYP3A4
SCHEMBL104267 0.64 HDAC6 (0.46) GRM5ALDH1A1CYP3A4
SCHEMBL102665 0.63 GRM5 (0.36) POLQGRM5ALDH1A1FFAR1

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 POLQ 4318/4885NR1H2 298/4885GRM5 1/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 POLQ 4443/4885NR1H2 244/4885GRM5 1/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 POLQ 4318/4885NR1H2 298/4885GRM5 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.