SCHEMBL1571

SCHEMBL1571

Cc1noc(-c2ccc(Br)cc2)c1CC(F)(F)CCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
CYP2D6 P10635 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
RAB9A P51151 2/20 0.33
HDAC1 Q13547 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
NR1H4 Q96RI1 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
SCHEMBL7528 0.84 LPAR1 (0.46) TSHRLMNANR1H4MEN1KMT2A
SCHEMBL6832 0.81 PTGS2 (0.42) ALDH1A1L3MBTL1LMNACYP2C9MEN1
SCHEMBL6685 0.80 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL1761 0.80 LPAR1 (0.47) ALDH1A1SMN1; SMN2MAPTHDAC1CYP2C9
SCHEMBL6798 0.78 FFAR1 (0.41) SLC6A9LPAR1
SCHEMBL6797 0.78 FFAR1 (0.41) SLC6A9LPAR1
SCHEMBL7128 0.78 HSD11B1 (0.35) ALDH1A1TSHRL3MBTL1SMN1; SMN2MAPT
SCHEMBL13830573 0.78 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL6730 0.78 LPAR1 (0.38) ALDH1A1L3MBTL1SMN1; SMN2CYP2C9MEN1
SCHEMBL6841 0.77 CYP1A2 (0.38) ALDH1A1CYP1A2CYP3A4TSHRCYP2D6

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 21 patents — showing the first 20. 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
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
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-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
US-8217066-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists Amira Phamaceuticals, Inc. (US) 2011-04-07 US disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041729-A2 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 (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 ALDH1A1 3726/4885CYP1A2 4342/4885CYP3A4 4616/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ALDH1A1 3726/4885CYP1A2 4342/4885CYP3A4 4616/4885
US-20110082181-A1 Compounds as Lysophosphatidic Acid Receptor Antagonists LPAR1, LPAR2, LPAR4 ALDH1A1 3726/4885CYP1A2 4342/4885CYP3A4 4616/4885

“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.