SCHEMBL14711186

SCHEMBL14711186

O=C(Nc1nncn1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.43
HRH1 P35367 1/20 0.43
MGLL Q99685 3/20 0.42
LPAR3 Q9UBY5 1/20 0.41
MAP3K5 Q99683 1/20 0.40
ROCK2 O75116 1/20 0.40
ENPP2 Q13822 1/20 0.39
CCKBR P32239 1/20 0.39

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
SCHEMBL14711162 0.92 MAP3K5 (0.41) LPAR1HRH1MGLLMAP3K5ROCK2
SCHEMBL14711284 0.83 LPAR1 (0.48) LPAR1HRH1MGLLLPAR3ROCK2
SCHEMBL16697465 0.81 LPAR1 (0.66) LPAR1HRH1LPAR3
SCHEMBL14710290 0.81 LPAR1 (0.66) LPAR1HRH1LPAR3
SCHEMBL14790518 0.78 LPAR1 (0.55) LPAR1HRH1LPAR3
SCHEMBL14710286 0.77 LPAR1 (0.70) LPAR1HRH1LPAR3
SCHEMBL14793831 0.77 LPAR1 (0.44) LPAR1HRH1MGLLLPAR3ROCK2
SCHEMBL14710299 0.77 LPAR1 (0.44) LPAR1HRH1MGLLLPAR3ROCK2
SCHEMBL14711391 0.76 LPAR1 (0.42) LPAR1MGLLLPAR3ROCK2
SCHEMBL14710772 0.75 LPAR1 (0.51) LPAR1HRH1MGLLLPAR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885HRH1 135/4885MGLL 102/4885

“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.