SCHEMBL670971

SCHEMBL670971

CCOC(=O)C1(c2cccc(Br)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.56
OPRD1 P41143 5/20 0.55
OPRK1 P41145 4/20 0.55
SLC22A1 O15245 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
KCNH2 Q12809 1/20 0.55
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL4506478 0.94 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7807438 0.91 ALDH1A1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL24662670 0.87 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL26102572 0.87 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL30728168 0.86 OPRM1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL30728182 0.86 OPRM1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL27041434 0.86 OPRM1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4950745 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1656971 0.83 HDAC4 (0.43) OPRM1OPRD1NPSR1
SCHEMBL15322548 0.82 BACE1 (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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-9849109-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-9849109-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-9849109-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
EP-2606031-B1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2017-09-27 EP disclosed
EP-2606031-B1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2017-09-27 EP disclosed
EP-2834238-B1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER (US) 2017-02-01 EP disclosed
US-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-9296745-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2016-03-29 US disclosed
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2015-06-18 US disclosed
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2015-06-18 US disclosed
CN-104411692-A N-alkyltriazole compounds as lpar antagonists HOFFMANN LA ROCHE 2015-03-11 CN disclosed
CN-104395299-A N-aryltriazole compounds as lpar antagonists HOFFMANN LA ROCHE 2015-03-04 CN disclosed
EP-2834238-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS Pfizer Inc. (US) 2015-02-11 EP disclosed
WO-2013150416-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2013-10-10 WO disclosed
EP-2606031-A2 AUTOTAXIN INHIBITORS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-06-26 EP disclosed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 WO disclosed
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 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-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 OPRM1 4561/4885OPRD1 4660/4885OPRK1 4737/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 OPRM1 4561/4885OPRD1 4660/4885OPRK1 4737/4885

“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.