SCHEMBL5015872

SCHEMBL5015872

COC1CCN(c2ccc(N3CCN(CC4CC4)CC3)c(C3CCC(C)(C)CC3)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.36
OPRK1 P41145 2/20 0.35
OPRM1 P35372 1/20 0.34
NTSR1 P30989 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
HTR1A P08908 2/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HTR7 P34969 1/20 0.33
IKZF1 Q13422 1/20 0.33
IKZF2 Q9UKS7 1/20 0.33

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
Hydrochloric Acid SCHEMBL4857912 0.99 OPRD1 (0.35) OPRD1OPRK1OPRM1NTSR1EHMT2
Hydrochloric Acid SCHEMBL4851114 0.95 EHMT2 (0.36) OPRD1OPRK1OPRM1NTSR1EHMT2
SCHEMBL6021758 0.93 OPRD1 (0.36) OPRD1HTR1AADRA2ADRD2ADRA2C
Hydrochloric Acid SCHEMBL4856230 0.93 OPRD1 (0.35) OPRD1HTR1AADRA2ADRD2ADRA2C
Hydrochloric Acid SCHEMBL4852104 0.91 OPRD1 (0.34) OPRD1OPRK1OPRM1NTSR1EHMT2
SCHEMBL4260642 0.90 OPRD1 (0.33) OPRD1OPRK1OPRM1NTSR1EHMT2
Hydrochloric Acid SCHEMBL4852449 0.89 OPRD1 (0.34) OPRD1OPRK1OPRM1HTR1AADRA2A
Hydrochloric Acid SCHEMBL4859408 0.89 HTR1A (0.35) OPRD1OPRK1OPRM1NTSR1EHMT2
Hydrochloric Acid SCHEMBL4859447 0.89 OPRD1 (0.33) OPRD1OPRK1OPRM1NTSR1EHMT2
SCHEMBL6021774 0.89 OPRD1 (0.34) OPRD1OPRK1OPRM1EHMT2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US claimed
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

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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 OPRD1 924/4885OPRK1 1360/4885OPRM1 2712/4885

“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.