SCHEMBL5295

SCHEMBL5295

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4Nc4cccc(-c5cccc(Cl)c5)n4)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
ABCB4 P21439 1/20 0.42
LPAR1 Q92633 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
CFTR P13569 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
CNR2 P34972 4/20 0.36
SLC26A6 Q9BXS9 1/20 0.36
THRB P10828 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL4180 0.91 LPAR1 (0.49) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL4522 0.91 ABCC3 (0.40) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL4830 0.90 TSHR (0.43) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL5363 0.90 ABCC3 (0.41) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL4939 0.90 ABCC3 (0.41) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL3755 0.89 LPAR1 (0.51) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL4350 0.89 LPAR1 (0.43) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL4548 0.88 LPAR1 (0.46) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL3740 0.88 LPAR1 (0.41) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL4907 0.88 ABCC3 (0.41) ABCC3ABCC4ABCB11CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2014-09-11 US disclosed
US-8778983-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US 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
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
EP-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (4 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 ABCC3 2836/4885ABCC4 2969/4885ABCB11 2005/4885
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ABCC3 2836/4885ABCC4 2969/4885ABCB11 2005/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ABCC3 2836/4885ABCC4 2969/4885ABCB11 2005/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 ABCC3 2836/4885ABCC4 2969/4885ABCB11 2005/4885

“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.