SCHEMBL3453

SCHEMBL3453

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CN4C(=O)OC(c5ccccc5)C4C)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.39
OPRD1 P41143 6/20 0.39
OPRK1 P41145 6/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ABCB4 P21439 1/20 0.39
LPAR1 Q92633 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL4212 1.00 OPRM1 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3454 1.00 OPRM1 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3311 0.91 LPAR1 (0.45) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL3310 0.91 LPAR1 (0.45) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL3642 0.91 LPAR1 (0.45) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14778153 0.85 SCD5 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3778 0.85 SCD5 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4772 0.84 ABCC3 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4476 0.82 HDAC1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL14778057 0.82 HDAC1 (0.40) 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
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 OPRM1 1237/4885OPRD1 1361/4885OPRK1 769/4885

“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.