SCHEMBL2407512

SCHEMBL2407512

CN(C)CCOB(c1ccccc1)c1ccc(Oc2ccc(B(CO)OCC(c3ccccc3)N(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LYPLA1 O75608 1/20 0.46
▸ LYPLA2 O95372 1/20 0.46
▸ LTA4H P09960 1/20 0.39
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ CHRM1 P11229 4/20 0.34
▸ OPRM1 P35372 4/20 0.34
▸ CHRM2 P08172 3/20 0.34
▸ ADRA2A P08913 3/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CHRM4 P08173 2/20 0.34

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
SCHEMBL17698452 0.88 CHRNB2 (0.40) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12266297 0.77 LYPLA1 (0.65) LYPLA1LYPLA2LTA4HCYP1A2TSHR
SCHEMBL13476023 0.76 LYPLA1 (0.63) LYPLA1LYPLA2LTA4HSLC6A2SLC6A4
SCHEMBL2404635 0.73 HTR1D (0.32) LYPLA1LYPLA2SLC6A4CYP1A2TSHR
SCHEMBL13476042 0.71 LYPLA1 (0.63) LYPLA1LYPLA2LTA4HCHRM1OPRM1
SCHEMBL17698471 0.69 HTR1D (0.38) LTA4HNPY5RALDH1A1
SCHEMBL3275764 0.69 NPY5R (0.41) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12266287 0.68 LYPLA1 (0.70) LYPLA1LYPLA2LTA4HCHRM1OPRM1
SCHEMBL14135146 0.68 LYPLA1 (0.62) LYPLA1LYPLA2LTA4HCHRM1OPRM1
SCHEMBL12270616 0.68 LYPLA1 (0.73) LYPLA1LYPLA2LTA4HCYP1A2TSHR

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
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 — — EP claimed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 LYPLA1 1153/4885LYPLA2 1988/4885LTA4H 4297/4885

“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.

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