SCHEMBL3275764

SCHEMBL3275764

CN(C)C(CB(CO)c1ccc(Oc2ccc(B(CO)CC(c3ccccc3)N(C)C)cc2)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 10/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ NPY2R P49146 1/20 0.37
▸ LTA4H P09960 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 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 0.78 CHRNB2 (0.40) NPY5RCA1CA2CHRNB2CHRNB4
SCHEMBL3274019 0.78 CA1 (0.39) NPY5RCA1CA2NPY2RLTA4H
SCHEMBL1206432 0.68 KDM4E (0.52) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL817422 0.68 KDM4E (0.52) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL1205734 0.68 KDM4E (0.52) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL5398515 0.65 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL28144242 0.65 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL9995387 0.65 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL12071516 0.65 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL28144244 0.65 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E

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-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 — — US claimed
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 (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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 NPY5R 102/4885CA1 393/4885CA2 2/4885

“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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