SCHEMBL13383628

SCHEMBL13383628

OCc1ccc(B(OCCN2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.51
▸ LTA4H P09960 6/20 0.47
▸ HRH1 P35367 3/20 0.45
▸ DRD1 P21728 2/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ DRD5 P21918 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ PSMB1 P20618 2/20 0.43
▸ PSMB5 P28074 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PSMB2 P49721 1/20 0.41

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
SCHEMBL13383619 0.88 HRH1 (0.45) HRH3LTA4HHRH1DRD1DRD4
SCHEMBL12266409 0.86 HRH3 (0.49) HRH3LTA4HHRH1DRD1DRD4
SCHEMBL12271044 0.81 CYP1A2 (0.55) LTA4HHRH1DRD1DRD4DRD5
SCHEMBL12266420 0.78 KDM4E (0.55) HRH3LTA4HHRH1DRD1DRD4
SCHEMBL12266379 0.77 SMN1; SMN2 (0.50) HRH3HRH1DRD3DRD2PSMB1
SCHEMBL12271077 0.74 MEN1 (0.48) HRH3HRH1KDM4ESMN1; SMN2
SCHEMBL13383615 0.74 CHRM3 (0.51) —
SCHEMBL224627 0.72 HRH3 (0.85) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL227588 0.72 HRH3 (0.85) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL8973201 0.70 HRH3 (0.82) HRH3LTA4HPSMB1PSMB5PSMB2

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 1 patent. 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 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 HRH3 143/4885LTA4H 4660/4885HRH1 661/4885

“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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