SCHEMBL3769

SCHEMBL3769

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1Nc1cccc(Cc2ccc(F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.51
CYP2C9 P11712 2/20 0.51
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP2C8 P10632 1/20 0.51
ABCB4 P21439 1/20 0.51
ABCC2 Q92887 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
LPAR3 Q9UBY5 5/20 0.37
LPAR2 Q9HBW0 1/20 0.36
APP P05067 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3517 0.93 LPAR1 (0.56) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL1608335 0.92 LPAR1 (0.56) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL1608330 0.92 LPAR1 (0.56) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL3376 0.92 LPAR1 (0.50) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL4948 0.90 LPAR1 (0.43) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL4315 0.87 LPAR1 (0.51) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL1608332 0.85 LPAR1 (0.48) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL3241 0.84 LPAR1 (0.46) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL4625 0.84 LPAR1 (0.49) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL4855 0.82 LPAR1 (0.42) 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 27 patents — showing the first 20. 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 claimed
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2014-09-11 US claimed
EP-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 US claimed
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
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
CN-102770415-B Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2014-09-24 CN disclosed
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2014-09-11 US disclosed
EP-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483251-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
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
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 (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-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885CYP2C9 4650/4885ABCC3 2836/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885CYP2C9 4650/4885ABCC3 2836/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 LPAR1 1/4885CYP2C9 4650/4885ABCC3 2836/4885

“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.