SCHEMBL3500649

SCHEMBL3500649

Clc1cc(C#Cc2ccccc2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
TRPA1 O75762 1/20 0.52
APP P05067 1/20 0.48
ASIC3 Q9UHC3 1/20 0.46
GRM5 P41594 10/20 0.45
GRM4 Q14833 1/20 0.44
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL4736199 0.82 FFAR1 (0.44) FFAR1TRPA1ASIC3GRM5KCNH2
SCHEMBL2529804 0.81 GRM5 (0.57) FFAR1TRPA1GRM5KCNH2
SCHEMBL7958115 0.78 FFAR1 (0.45) FFAR1TRPA1GRM5KCNH2TDP1
SCHEMBL9947880 0.78 FFAR1 (0.46) FFAR1TRPA1GRM5KCNH2TDP1
SCHEMBL4734297 0.77 FFAR1 (0.50) FFAR1APPGRM5KCNH2
SCHEMBL23918702 0.76 FFAR1 (0.56) FFAR1APPASIC3GRM5GRM4
SCHEMBL3498257 0.76 ASIC3 (0.54) APPASIC3GRM5GRM4
SCHEMBL16139763 0.76 GRM5 (0.57) FFAR1APPASIC3GRM5GRM4
SCHEMBL39723 0.74 FFAR1 (0.44) FFAR1TRPA1GRM5KCNH2
SCHEMBL13388214 0.74 FFAR1 (0.55) FFAR1GRM5KCNH2

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-2012084678-A1 NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-06-28 WO disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 FFAR1 33/4885TRPA1 337/4885APP 2850/4885

“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.