SCHEMBL39723

SCHEMBL39723

C[Si](C)(C)C#Cc1ccnc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
GRM5 P41594 9/20 0.42
KCNH2 Q12809 2/20 0.42
TRPA1 O75762 1/20 0.38
RECQL P46063 1/20 0.37
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ADRB3 P13945 1/20 0.37
TSPO P30536 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GPR35 Q9HC97 1/20 0.37
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
IDO1 P14902 1/20 0.32
S1PR1 P21453 1/20 0.31

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
SCHEMBL6026011 0.90 FFAR1 (0.39) FFAR1GRM5KCNH2TRPA1RECQL
SCHEMBL9947880 0.80 FFAR1 (0.46) FFAR1GRM5KCNH2TRPA1RECQL
SCHEMBL4630923 0.78 FFAR1 (0.45) FFAR1GRM5
SCHEMBL30527105 0.78 FFAR1 (0.45) FFAR1GRM5
SCHEMBL25200094 0.77 FFAR1 (0.44) FFAR1GRM5KCNH2LOXL2IDO1
SCHEMBL19401536 0.77 IDO1 (0.32) FFAR1IDO1
SCHEMBL3645150 0.77 GABRA1 (0.33) FFAR1
SCHEMBL4034902 0.77 NOS3 (0.45) LOX
SCHEMBL17478024 0.76 TYK2 (0.34) GRM5
SCHEMBL3500649 0.74 FFAR1 (0.56) FFAR1GRM5KCNH2TRPA1

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
EP-3852736-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
CN-113056265-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2021-06-29 CN disclosed
WO-2020061117-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
WO-2017117708-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2017-07-13 WO disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
EP-1636206-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
US-20060030559-A1 Diazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2005118568-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed
US-20050143375-A1 Imidazole derivatives ROCHE PALO ALTO LLC 2005-06-30 US disclosed
WO-2005023795-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20050054686-A1 Imidazole derivatives HOFFMANN-LA ROCHE INC. 2005-03-10 US disclosed
WO-2005003117-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
US-20050009878-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-01-13 US disclosed
WO-2004108701-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-16 WO disclosed
US-20040248888-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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 (7 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-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 FFAR1 45/4885GRM5 759/4885KCNH2 4763/4885
US-20060030559-A1 Diazole derivatives GRM1, GRM2, GRIN2B FFAR1 41/4885GRM5 14/4885KCNH2 551/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 FFAR1 1628/4885GRM5 2740/4885KCNH2 1258/4885
US-20050054686-A1 Imidazole derivatives CHRM2, CHRM1, ARG1 FFAR1 3485/4885GRM5 758/4885KCNH2 418/4885
US-20040248888-A1 Imidazole derivatives GRIK5, GRM5, GRIN2B FFAR1 440/4885GRM5 2/4885KCNH2 115/4885
US-20050009878-A1 Imidazole derivatives GRIK5, GRM5, GRIK4 FFAR1 600/4885GRM5 2/4885KCNH2 78/4885
US-20050143375-A1 Imidazole derivatives GRM5, GRIK5, GRM2 FFAR1 581/4885GRM5 1/4885KCNH2 1004/4885

“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.