SCHEMBL1206554

SCHEMBL1206554

Fc1ccc(C2=CC3CCC(C2)N3Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
SLC6A2 P23975 3/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 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
SCHEMBL1513406 0.90 SLC6A2 (0.49) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL9911016 0.88 SLC6A2 (0.42) SIGMAR1SLC6A2DRD2DRD4DRD3
SCHEMBL1335651 0.87 SLC6A2 (0.44) SIGMAR1SLC6A2DRD2DRD4DRD3
SCHEMBL1335738 0.86 SLC6A4 (0.44) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1335736 0.86 SLC6A4 (0.44) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1334072 0.85 LTA4H (0.41) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1334755 0.84 SLC6A2 (0.41) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1334699 0.84 SLC6A4 (0.41) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1333470 0.84 SIGMAR1 (0.47) SIGMAR1SLC6A4
SCHEMBL1335594 0.84 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP disclosed
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP disclosed
US-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-8609690-B2 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-17 US disclosed
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
EP-2318403-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-05-11 EP disclosed
US-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
US-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
US-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
EP-2245014-A1 UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2010-11-03 EP disclosed
WO-2010046445-A2 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-29 WO disclosed
WO-2010046445-A2 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-29 WO disclosed
WO-2010023161-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 WO disclosed
WO-2010023161-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 WO disclosed
WO-2009100872-A1 UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-20 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-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use XDH, HSD11B1, HSD3B1 SIGMAR1 89/4885SLC6A2 1794/4885DRD2 2003/4885
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 SIGMAR1 277/4885SLC6A2 668/4885DRD2 772/4885

“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.