SCHEMBL25955486

SCHEMBL25955486

Cc1nc(-c2nnn(C)c2NC(=O)O[C@H](C)c2ccccc2F)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 19/20 0.47
LPAR3 Q9UBY5 11/20 0.44
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 0.38
HRH1 P35367 1/20 0.34

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
SCHEMBL31138099 1.00 LPAR1 (0.47) LPAR1LPAR3CHRNB2CHRNB4CHRNA3
SCHEMBL30538303 0.89 LPAR1 (0.51) LPAR1LPAR3
SCHEMBL25341148 0.89 LPAR1 (0.51) LPAR1LPAR3
SCHEMBL25341143 0.89 LPAR1 (0.51) LPAR1LPAR3
SCHEMBL31138096 0.89 LPAR1 (0.49) LPAR1LPAR3
SCHEMBL25955475 0.89 LPAR1 (0.49) LPAR1LPAR3
SCHEMBL25339138 0.87 LPAR1 (0.59) LPAR1LPAR3HRH1
SCHEMBL25339140 0.87 LPAR1 (0.59) LPAR1LPAR3HRH1
SCHEMBL31138079 0.86 LPAR1 (0.45) LPAR1LPAR3CHRNB2CHRNB4CHRNA3
SCHEMBL25955351 0.86 LPAR1 (0.45) LPAR1LPAR3CHRNB2CHRNB4CHRNA3

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 3/4885CHRNB2 2009/4885

“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.