SCHEMBL3732191

SCHEMBL3732191

CN(C)[C@H]1CCN(Cc2ccc(B(O)O)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.51
HDAC1 Q13547 1/20 0.46
JAK2 O60674 1/20 0.44
GRM2 Q14416 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRM4 P08173 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAP4K4 O95819 2/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
TNIK Q9UKE5 1/20 0.38

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
SCHEMBL3721056 1.00 LTA4H (0.51) LTA4HHDAC1JAK2GRM2CHRM2
SCHEMBL3663608 1.00 LTA4H (0.51) LTA4HHDAC1JAK2GRM2CHRM2
SCHEMBL29956004 0.91 PARP1 (0.45) LTA4HCHRM2CHRM3HRH3PARP1
SCHEMBL28626109 0.84 LTA4H (0.54) LTA4HHDAC1JAK2GRM2CHRM2
SCHEMBL10288535 0.82 LTA4H (0.55) LTA4HHDAC1JAK2GRM2HRH3
SCHEMBL5193010 0.82 LTA4H (0.55) LTA4HHDAC1JAK2CHRM2CHRM3
SCHEMBL4591511 0.82 LTA4H (0.55) LTA4HHDAC1JAK2CHRM2CHRM3
SCHEMBL5951343 0.82 LTA4H (0.55) LTA4HHDAC1JAK2CHRM2CHRM3
SCHEMBL14924455 0.82 LTA4H (0.55) LTA4HHDAC1JAK2HRH3KCNH2
SCHEMBL18516568 0.82 LTA4H (0.55) LTA4HHDAC1JAK2HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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 (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-20090215776-A1 Organic compounds REN, RXFP1, MYLK LTA4H 1268/4885HDAC1 604/4885JAK2 354/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 LTA4H 729/4885HDAC1 3723/4885JAK2 9/4885

“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.