SCHEMBL7767

SCHEMBL7767

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1CN(C)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.49
SLCO1B1 Q9Y6L6 3/20 0.44
LPAR1 Q92633 3/20 0.44
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ABCB4 P21439 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
NR1H4 Q96RI1 1/20 0.37
S1PR1 P21453 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6825 0.95 LPAR1 (0.48) SLC6A9SLCO1B1LPAR1ABCC3ABCC4
SCHEMBL6516 0.90 SLC6A9 (0.47) SLC6A9SLCO1B1LPAR1ABCC3ABCC4
SCHEMBL6894 0.84 SLC6A9 (0.41) SLC6A9SLCO1B1LPAR1ABCC3ABCC4
SCHEMBL7768 0.81 LPAR1 (0.47) SLC6A9SLCO1B1LPAR1ABCC3ABCC4
SCHEMBL6674 0.80 LPAR1 (0.53) SLCO1B1LPAR1ABCC3ABCC4ABCB11
SCHEMBL7082 0.80 LPAR1 (0.46) SLC6A9SLCO1B1LPAR1ABCC3ABCC4
SCHEMBL989 0.78 CYP2C9 (0.48) SLC6A9SLCO1B1LPAR1ABCC3ABCC4
SCHEMBL6952 0.78 LPAR1 (0.48) SLC6A9SLCO1B1LPAR1ABCC3ABCC4
SCHEMBL2636376 0.77 LPAR1 (0.44) SLC6A9SLCO1B1LPAR1ABCC3ABCC4
SCHEMBL13719364 0.77 LPAR1 (0.50) SLCO1B1LPAR1ABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP claimed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US claimed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US claimed
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
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-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
WO-2011041694-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 (2 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 SLC6A9 4015/4885SLCO1B1 4285/4885LPAR1 1/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 SLC6A9 4015/4885SLCO1B1 4285/4885LPAR1 1/4885

“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.