SCHEMBL9904111

SCHEMBL9904111

CCOC(=O)C1(c2ccc(-c3ccc(-c4cnn(C)c4N)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.49
LPAR1 Q92633 3/20 0.48
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
SLC22A1 O15245 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL12989383 0.87 LPAR1 (0.53) LPAR1
SCHEMBL9904193 0.84 OPRM1 (0.47) OPRM1LPAR1OPRD1OPRK1SLC22A1
SCHEMBL12987951 0.83 LPAR1 (0.58) LPAR1
SCHEMBL9904975 0.81 LPAR1 (0.46) OPRM1LPAR1OPRD1OPRK1SLC22A1
SCHEMBL9904274 0.81 LPAR1 (0.59) OPRM1LPAR1
SCHEMBL29944564 0.79 LPAR1 (0.52) OPRM1LPAR1
SCHEMBL20780151 0.79 LPAR1 (0.52) OPRM1LPAR1
SCHEMBL20773345 0.77 LPAR1 (0.51) LPAR1
SCHEMBL12989647 0.77 LPAR1 (0.45) LPAR1
SCHEMBL12988776 0.77 LPAR1 (0.59) OPRM1LPAR1OPRD1OPRK1SLC22A1

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-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
US-20150259295-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-09-17 US disclosed
EP-2648714-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
WO-2012138648-A1 COMPOSITIONS AND METHODS FOR MODULATING LPA RECEPTORS IRM LLC (BM) 2012-10-11 WO disclosed
WO-2012138648-A1 COMPOSITIONS AND METHODS FOR MODULATING LPA RECEPTORS IRM LLC (BM) 2012-10-11 WO disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 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-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS LPAR2, LPAR1, LPAR4 OPRM1 1808/4885LPAR1 2/4885OPRD1 1760/4885
US-20150259295-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR3, LPAR1, LPAR2 OPRM1 3103/4885LPAR1 2/4885OPRD1 2086/4885

“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.