SCHEMBL13087772

SCHEMBL13087772

Fc1cccc(C#CCCCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.39
PIN1 Q13526 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL29187194 0.83 GRM5 (0.54) GRM5FFAR1FFAR4
SCHEMBL2236377 0.81 FFAR1 (0.53) GRM5FFAR1FFAR4TAAR1
SCHEMBL2949406 0.79 GRM5 (0.46) GRM5CA12CA2CA9CA1
SCHEMBL28585298 0.78 FFAR1 (0.51) GRM5FFAR1FFAR4
SCHEMBL2232937 0.77 FFAR1 (0.56) GRM5FFAR1
SCHEMBL23034066 0.76 KCNH2 (0.51) GRM5FFAR1FFAR4CA12CA2
SCHEMBL2944870 0.75 ASIC3 (0.48) GRM5CA12CA2CA9CA1
SCHEMBL12348385 0.74 FFAR1 (0.53) GRM5FFAR1FFAR4
SCHEMBL233921 0.74 MAOA (0.49) GRM5FFAR1FFAR4
SCHEMBL717450 0.73 CA12 (0.59) GRM5CA12CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 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 (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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 GRM5 3982/4885DRD2 93/4885SLC6A4 2383/4885

“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.