Sugi Predict

Sugi Predict / Compounds / SCHEMBL102160

SCHEMBL102160

SCHEMBL102160

C#CCCC(=O)N(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNQ4 P56696 4/20 0.36
▸ PYCR1 P32322 2/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ KCNQ5 Q9NR82 3/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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 0.84 MAOA (0.36) PYCR1LTB4R2CYP1A2HSD11B1CYP3A4
SCHEMBL104088 0.80 CES2 (0.33) KCNQ2CYP1A2CYP3A4CYP2D6RAB9A
SCHEMBL102048 0.79 FOLH1 (0.45) KCNQ4PYCR1
SCHEMBL102581 0.79 KCNQ4 (0.43) KCNQ4LTB4R2KCNQ2KCNQ5CYP1A2
SCHEMBL5314605 0.76 KMT2A (0.38) KCNQ4PYCR1KCNQ2
SCHEMBL103454 0.74 ALDH1A1 (0.44) PYCR1LTB4R2NPC1RAB9A
SCHEMBL103737 0.73 GRM5 (0.42) FFAR1RAB9A
SCHEMBL3551527 0.69 TP53 (0.41) LTB4R2FFAR1NPC1RAB9A
SCHEMBL101719 0.66 POLQ (0.48) CYP1A2CYP3A4CYP2D6
SCHEMBL102245 0.66 HDAC3 (0.57) CYP1A2CYP3A4CYP2D6RAB9A

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 KCNQ4 571/4885PYCR1 1219/4885LTB4R2 567/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 KCNQ4 538/4885PYCR1 1595/4885LTB4R2 545/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KCNQ4 571/4885PYCR1 1219/4885LTB4R2 567/4885

“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.