SCHEMBL2400484

SCHEMBL2400484

Cc1ccc(B(OCCN(C)C)C(OC(B(OCCN(C)C)c2ccc(C)c(Cl)c2)c2ccccc2)c2ccccc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.39
DRD3 P35462 4/20 0.39
CYP2D6 P10635 3/20 0.39
CHRM2 P08172 3/20 0.39
ADRA2A P08913 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
OPRM1 P35372 3/20 0.39
SLC6A3 Q01959 3/20 0.39
HTR2A P28223 3/20 0.39
HRH1 P35367 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
ADRA2B P18089 2/20 0.39
CHRM3 P20309 2/20 0.39
HRH2 P25021 2/20 0.39
HTR2C P28335 2/20 0.39
ADRA1A P35348 2/20 0.39
HTR2B P41595 2/20 0.39
HTR6 P50406 2/20 0.39

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
SCHEMBL2398467 0.86 ALDH1A1 (0.37) DRD3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL2397906 0.84 DRD3 (0.37) CHRM1DRD3CYP2D6SLC6A2SLC6A4
SCHEMBL2398470 0.83 LMNA (0.40) CHRM1DRD3CYP2D6CHRM2ADRA2A
SCHEMBL2399715 0.82 HTR2A (0.49) CHRM1DRD3CYP2D6CHRM2ADRA2A
SCHEMBL2399860 0.78 LYPLA1 (0.44) CHRM1DRD3CYP2D6CHRM2ADRA2A
SCHEMBL12270761 0.76 LYPLA1 (0.48) DRD3CYP3A4LYPLA1LYPLA2KDM4E
SCHEMBL2398413 0.73 ALDH1A1 (0.39) LMNAHTTNPSR1KDM4ESMN1; SMN2
SCHEMBL2398516 0.73 ALDH1A1 (0.39) LMNAHTTNPSR1KDM4ESMN1; SMN2
SCHEMBL2397063 0.73 LTA4H (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL12266330 0.68 LYPLA1 (0.50) HTR2AHTR2BHTR6CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP claimed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 CHRM1 2200/4885DRD3 3364/4885CYP2D6 4320/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 CHRM1 83/4885DRD3 789/4885CYP2D6 2399/4885

“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.