SCHEMBL25955237

SCHEMBL25955237

Cc1nc(-c2nnn(C)c2NC(=O)O[C@H](C)c2ccccc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 18/20 0.48
LPAR3 Q9UBY5 11/20 0.42
LPAR2 Q9HBW0 2/20 0.39
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL31138085 1.00 LPAR1 (0.48) LPAR1LPAR3LPAR2TDP1POLB
SCHEMBL25955351 0.90 LPAR1 (0.45) LPAR1LPAR3
SCHEMBL31138079 0.90 LPAR1 (0.45) LPAR1LPAR3
SCHEMBL31138094 0.89 LPAR1 (0.42) LPAR1LPAR3LPAR2POLB
SCHEMBL25955353 0.89 LPAR1 (0.42) LPAR1LPAR3LPAR2POLB
SCHEMBL25338855 0.88 LPAR1 (0.55) LPAR1LPAR3
SCHEMBL25338858 0.88 LPAR1 (0.55) LPAR1LPAR3
SCHEMBL25955338 0.88 LPAR1 (0.47) LPAR1LPAR3
SCHEMBL31138084 0.88 LPAR1 (0.47) LPAR1LPAR3
SCHEMBL25341148 0.86 LPAR1 (0.51) LPAR1LPAR3LPAR2

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-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-08-10 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-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 2/4885

“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.