SCHEMBL4858254

SCHEMBL4858254

C[C@@H]1CN(c2ccc(N3CCN(CC4CCC4)CC3)c(C3CCC(C)(C)CC3)c2)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD3 P35462 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4858257 1.00 OPRD1 (0.33) OPRD1OPRM1OPRK1OPRL1CASP1
Hydrochloric Acid SCHEMBL4856017 0.99 OPRD1 (0.34) OPRD1OPRM1OPRK1OPRL1CASP1
Hydrochloric Acid SCHEMBL4856026 0.99 OPRD1 (0.34) OPRD1OPRM1OPRK1OPRL1CASP1
Hydrochloric Acid SCHEMBL4857944 0.95 OPRD1 (0.35) OPRD1OPRM1OPRK1HTR1AADRA2A
Hydrochloric Acid SCHEMBL4857938 0.95 OPRD1 (0.35) OPRD1OPRM1OPRK1HTR1AADRA2A
Hydrochloric Acid SCHEMBL4859887 0.92 OPRD1 (0.36) OPRD1HTR1AADRA2ADRD2ADRA2C
Hydrochloric Acid SCHEMBL4858411 0.87 HTR1A (0.35) OPRD1OPRM1OPRK1HTR1AADRA2A
Hydrochloric Acid SCHEMBL4858403 0.87 HTR1A (0.35) OPRD1OPRM1OPRK1HTR1AADRA2A
Hydrochloric Acid SCHEMBL4855560 0.87 OPRD1 (0.34) OPRD1OPRM1OPRK1HTR1AADRA2A
Hydrochloric Acid SCHEMBL4855571 0.87 OPRD1 (0.34) OPRD1OPRM1OPRK1HTR1AADRA2A

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
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US disclosed
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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 (3 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 OPRD1 924/4885OPRM1 2712/4885OPRK1 1360/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 OPRD1 808/4885OPRM1 2400/4885OPRK1 1136/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 OPRD1 961/4885OPRM1 2821/4885OPRK1 2007/4885

“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.