SCHEMBL3586760

SCHEMBL3586760

CC(C)(C)C1CC1(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.47
GRM5 P41594 5/20 0.47
GRM1 Q13255 4/20 0.47
GRM4 Q14833 7/20 0.42
GRM6 O15303 6/20 0.42
GRM8 O00222 3/20 0.42
GRM3 Q14832 3/20 0.41
SLC6A4 P31645 1/20 0.39
ARG1 P05089 2/20 0.38
ARG2 P78540 2/20 0.38

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
SCHEMBL25907203 0.77 GRM2 (0.42) GRM2GRM5GRM1GRM4GRM6
SCHEMBL12800122 0.77 GRM2 (0.42) GRM2GRM5GRM1GRM4GRM6
SCHEMBL15428478 0.70
SCHEMBL15909554 0.70
SCHEMBL11387548 0.70 APLNR (0.31) GRM2GRM5GRM1ARG1ARG2
SCHEMBL15404487 0.69 GRM2 (0.39) GRM2GRM5GRM1GRM6GRM3
Hydrochloric Acid SCHEMBL25384535 0.69
Hydrochloric Acid SCHEMBL9277699 0.69
SCHEMBL16240415 0.68
SCHEMBL3294258 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA GRM2 656/4885GRM5 783/4885GRM1 961/4885

“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.