SCHEMBL14214

SCHEMBL14214

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(C)CCc4cccc(C(F)(F)F)c4)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.43
CYP2C9 P11712 2/20 0.43
ABCC3 O15438 1/20 0.43
ABCC4 O15439 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP2C8 P10632 1/20 0.43
ABCB4 P21439 1/20 0.43
ABCC2 Q92887 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
LPAR3 Q9UBY5 5/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
ADRA1A P35348 2/20 0.35
DRD3 P35462 2/20 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
SCHEMBL6986 0.91 LPAR1 (0.51) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6735 0.90 LPAR1 (0.45) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6638 0.88 LPAR1 (0.45) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL10980 0.88 LPAR1 (0.38) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6294 0.88 LPAR1 (0.53) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL17266825 0.87 LPAR1 (0.37) LPAR1CYP2C9LPAR3MEN1KMT2A
SCHEMBL13831064 0.86 USP2 (0.44) LPAR1CYP2C9MEN1KMT2AUSP2
SCHEMBL2636106 0.86 LPAR1 (0.47) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL14585 0.85 LPAR1 (0.42) LPAR1CYP2C9LPAR3MEN1KMT2A
SCHEMBL1879 0.85 KMT2A (0.40) LPAR1CYP2C9ABCC3ABCC4ABCB11

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 11 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
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-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
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-8217066-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists Amira Phamaceuticals, 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 (3 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 LPAR1 1/4885CYP2C9 4732/4885ABCC3 3151/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885CYP2C9 4732/4885ABCC3 3151/4885
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists LPAR1, LPAR2, LPAR4 LPAR1 1/4885CYP2C9 4732/4885ABCC3 3151/4885

“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.