SCHEMBL13720146

SCHEMBL13720146

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C(C(N)=O)C4Cc5ccccc5C4)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB4 P21439 1/20 0.41
LPAR1 Q92633 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41

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
SCHEMBL6737 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13719492 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13719853 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6542 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6854 0.79 ABCC3 (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL18597797 0.79 ABCC3 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL18597859 0.78 ABCC3 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6170 0.77 ABCC3 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL5866 0.77 LPAR1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6910 0.77 LPAR1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 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 (2 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 OPRM1 1320/4885OPRD1 1460/4885OPRK1 752/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 OPRM1 1320/4885OPRD1 1460/4885OPRK1 752/4885

“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.