SCHEMBL13601191

SCHEMBL13601191

CCOCc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.50
FFAR1 O14842 2/20 0.48
GLA P06280 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
MAOB P27338 4/20 0.45
MAOA P21397 2/20 0.45
HTR6 P50406 2/20 0.44
GRM5 P41594 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL6668868 0.89 MRGPRX4 (0.55) MRGPRX4FFAR1GLAFFAR4HRH3
SCHEMBL5986932 0.86 MRGPRX4 (0.48) MRGPRX4FFAR1GLAFFAR4HRH3
SCHEMBL20551473 0.85 MRGPRX4 (0.53) MRGPRX4FFAR1GLAFFAR4HRH3
SCHEMBL22469683 0.84 TSHR (0.56) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL31568453 0.84 TSHR (0.56) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL24637999 0.83 GLA (0.49) MRGPRX4FFAR1GLAFFAR4HRH3
SCHEMBL7672322 0.82 MRGPRX4 (0.39) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL3161114 0.82 MRGPRX4 (0.50) MRGPRX4FFAR1GLAFFAR4HRH3
SCHEMBL28384912 0.82 MRGPRX4 (0.50) MRGPRX4FFAR1GLAFFAR4HRH3
SCHEMBL29394262 0.81 MRGPRX4 (0.53) MRGPRX4FFAR1GLAFFAR4HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
EP-2875023-B1 OCTAHYDRO-CYCLOPENTAPYRROLYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2017-04-05 EP disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 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 (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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 MRGPRX4 578/4885FFAR1 172/4885GLA 3953/4885

“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.