SCHEMBL16845950

SCHEMBL16845950

Cc1nc(N2CCC(C#N)(c3ccccc3)CC2)nc(C)c1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C(=O)O)[C@@H]32)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.38
AOC3 Q16853 2/20 0.35
MCHR1 Q99705 2/20 0.34
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
ADRA1D P25100 5/20 0.33
ADRA1A P35348 5/20 0.33
ADRA1B P35368 5/20 0.33
ALDH1A1 P00352 4/20 0.33
SCN9A Q15858 1/20 0.32
F11 P03951 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL16845914 0.88 FFAR1 (0.44) FFAR1AOC3MCHR1ADRA1DADRA1A
SCHEMBL16855792 0.88 FFAR1 (0.44) FFAR1AOC3MCHR1ADRA1DADRA1A
SCHEMBL16845947 0.86 FFAR1 (0.39) FFAR1MCHR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL23952791 0.86 AOC3 (0.34) AOC3MCHR1ADRA1DADRA1AADRA1B
SCHEMBL18959461 0.77 KDM4E (0.34) FFAR1MCHR1ADRA1DADRA1AADRA1B
SCHEMBL18940301 0.76 FFAR1 (0.40) FFAR1AOC3
SCHEMBL23952798 0.73 ALDH1A1 (0.35) FFAR1AOC3ADRA1DADRA1AADRA1B
SCHEMBL16845945 0.73 FFAR1 (0.51) FFAR1
SCHEMBL18940300 0.73 FFAR1 (0.51) FFAR1
SCHEMBL23952856 0.72 FFAR1 (0.36) FFAR1AOC3MCHR1ADRA1DADRA1A

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
EP-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
WO-2015095256-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015089809-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 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 (1 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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 FFAR1 13/4885AOC3 4488/4885MCHR1 1120/4885

“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.