SCHEMBL14788469

SCHEMBL14788469

C[C@@H](OC(=O)Nc1cnnn1-c1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 19/20 0.55
LPAR3 Q9UBY5 4/20 0.41
LPAR2 Q9HBW0 2/20 0.41
ENPP2 Q13822 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL14790206 0.87 LPAR1 (0.71) LPAR1LPAR3HRH1
SCHEMBL14788488 0.86 LPAR1 (0.46) LPAR1LPAR3LPAR2ENPP2
SCHEMBL14790193 0.85 LPAR1 (0.63) LPAR1LPAR3LPAR2HRH1
SCHEMBL14711074 0.85 LPAR1 (0.52) LPAR1LPAR3LPAR2
SCHEMBL14710743 0.83 LPAR1 (0.79) LPAR1LPAR3HRH1
SCHEMBL14790197 0.83 LPAR1 (0.58) LPAR1LPAR3LPAR2HRH1
SCHEMBL22729889 0.83 LPAR1 (0.55) LPAR1LPAR3LPAR2ENPP2HRH1
SCHEMBL22729884 0.83 LPAR1 (0.55) LPAR1LPAR3LPAR2ENPP2HRH1
SCHEMBL14794752 0.83 LPAR1 (0.61) LPAR1LPAR3LPAR2HRH1
SCHEMBL14788415 0.83 LPAR1 (0.61) LPAR1LPAR3LPAR2HRH1

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-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

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 1/4885LPAR3 5/4885LPAR2 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.