SCHEMBL25907203

SCHEMBL25907203

N[C@@]1(C(=O)O)C[C@H]1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.42
GRM5 P41594 5/20 0.42
GRM1 Q13255 4/20 0.42
GRM6 O15303 10/20 0.40
GRM3 Q14832 7/20 0.40
GRM8 O00222 4/20 0.40
SLC6A4 P31645 1/20 0.39
GRM4 Q14833 7/20 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
SCHEMBL12800122 1.00 GRM2 (0.42) GRM2GRM5GRM1GRM6GRM3
SCHEMBL3586760 0.77 GRM2 (0.47) GRM2GRM5GRM1GRM6GRM3
Hydrochloric Acid SCHEMBL32674380 0.74
SCHEMBL32674009 0.72 GAA (0.34)
SCHEMBL25331423 0.68 APLNR (0.34)
SCHEMBL24868026 0.68 APLNR (0.34)
SCHEMBL25330072 0.68 APLNR (0.34)
SCHEMBL8521812 0.67
SCHEMBL20524196 0.65
SCHEMBL15428478 0.65

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-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 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 (2 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-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 GRM2 1175/4885GRM5 1083/4885GRM1 1079/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 GRM2 1175/4885GRM5 1083/4885GRM1 1079/4885

“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.