SCHEMBL3652437

SCHEMBL3652437

CN(C)CCOc1cccc(B(O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.64
CHRNA4 P43681 3/20 0.64
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 1/20 0.55
ENPP2 Q13822 1/20 0.54
ESR1 P03372 2/20 0.50
LTA4H P09960 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL29951590 0.84 KDM4E (0.58) KDM4EENPP2ESR1LTA4HSMN1; SMN2
SCHEMBL29951803 0.83 ENPP2 (0.50) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL2559626 0.83 ENPP2 (0.46) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL2562215 0.82 LPL (0.47) CHRNB2CHRNA4ALDH1A1ENPP2MAPT
SCHEMBL2562067 0.82 ENPP2 (0.49) CHRNB2CHRNA4KDM4EALDH1A1ENPP2
SCHEMBL2557585 0.82 ENPP2 (0.45) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL15329634 0.82 ENPP2 (0.45) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL7992 0.81 ENPP2 (0.59) KDM4EALDH1A1LMNAENPP2KMT2A
SCHEMBL2552738 0.81 KDM4E (0.54) CHRNB2CHRNA4KDM4EENPP2ESR1
SCHEMBL2556116 0.81 ENPP2 (0.44) CHRNB2CHRNA4KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US disclosed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US disclosed
EP-2205317-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2010-07-14 EP disclosed
WO-2009044160-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2009-04-09 WO 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-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HCRTR1, HCRTR2, RTN3 CHRNB2 94/4885CHRNA4 108/4885KDM4E 4606/4885

“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.