SCHEMBL16477201

SCHEMBL16477201

Cc1cnn(C)c1NC(=O)O[C@H](C)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 18/20 0.74
LPAR3 Q9UBY5 11/20 0.59
HRH1 P35367 1/20 0.45
PDE1C Q14123 2/20 0.43
PDE2A O00408 1/20 0.43
PDE5A O76074 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL12988949 0.86 LPAR1 (0.72) LPAR1LPAR3
SCHEMBL12989367 0.86 LPAR1 (0.72) LPAR1LPAR3
SCHEMBL15897414 0.86 LPAR1 (0.72) LPAR1LPAR3HRH1PDE1CPDE2A
SCHEMBL17083212 0.85 LPAR1 (1.00) LPAR1LPAR3
SCHEMBL15897422 0.83 LPAR1 (0.68) LPAR1LPAR3HRH1
SCHEMBL17083217 0.83 LPAR1 (0.95) LPAR1LPAR3HRH1
SCHEMBL29895996 0.82 LPAR1 (0.63) LPAR1LPAR3PDE1CPDE2APDE5A
SCHEMBL29896013 0.82 LPAR1 (0.63) LPAR1LPAR3PDE1CPDE2APDE5A
SCHEMBL13195363 0.81 LPAR1 (0.87) LPAR1LPAR3
SCHEMBL12989462 0.81 LPAR1 (0.87) LPAR1LPAR3HRH1

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-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885LPAR3 5/4885HRH1 135/4885

“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.