SCHEMBL14710355

SCHEMBL14710355

CCOC(=O)C1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CN(Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.46
OPRD1 P41143 6/20 0.46
OPRK1 P41145 6/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNA3 P22001 1/20 0.45
SLC22A1 O15245 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL14710358 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL14710565 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL1514 0.81 OPRM1 (0.50) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4781 0.79 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL342700 0.79 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL9900125 0.78 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL14711719 0.77 USP30 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL14709239 0.77 ALDH1A1 (0.46) OPRM1OPRD1OPRK1NPSR1SLC22A1
SCHEMBL17187971 0.75 OPRM1 (0.72) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL3322468 0.75 GAA (0.46) KDM4ENPSR1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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 (1 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 OPRM1 1387/4885OPRD1 1402/4885OPRK1 700/4885

“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.