SCHEMBL16697408

SCHEMBL16697408

COC(=O)C1(c2ccc(-c3cccc(-n4nnc(C)c4NC(=O)OC(C)c4ccccc4)c3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.75
HRH1 P35367 1/20 0.75
LPAR3 Q9UBY5 9/20 0.65

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
SCHEMBL16697406 1.00 LPAR1 (0.75) LPAR1HRH1LPAR3
SCHEMBL16697820 0.94 LPAR1 (0.85) LPAR1HRH1LPAR3
SCHEMBL16697819 0.94 LPAR1 (0.85) LPAR1HRH1LPAR3
SCHEMBL14710208 0.93 LPAR1 (0.87) LPAR1HRH1LPAR3
SCHEMBL16697711 0.93 LPAR1 (0.87) LPAR1HRH1LPAR3
SCHEMBL16697688 0.88 LPAR1 (0.70) LPAR1HRH1LPAR3
SCHEMBL16697686 0.88 LPAR1 (0.70) LPAR1HRH1LPAR3
SCHEMBL16698257 0.87 LPAR1 (0.68) LPAR1HRH1LPAR3
SCHEMBL16698258 0.87 LPAR1 (0.68) LPAR1HRH1LPAR3
SCHEMBL14710170 0.86 LPAR1 (1.00) LPAR1HRH1LPAR3

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-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-05-14 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-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 LPAR1 1/4885HRH1 819/4885LPAR3 3/4885

“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.