SCHEMBL3716741

SCHEMBL3716741

[2H]C([2H])([2H])N1CCN(Cc2ccc(B(O)O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MC4R P32245 1/20 0.46
CHKA P35790 4/20 0.45
HDAC6 Q9UBN7 1/20 0.43
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
CA2 P00918 1/20 0.43
NCF1 P14598 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2320439 0.88 LMNA (0.61) LMNAMC4RCHKAHDAC6LPL
Hydrochloric Acid SCHEMBL21747953 0.87 LMNA (0.59) LMNAMC4RCHKAHDAC6LPL
SCHEMBL16121611 0.83 CHKA (0.69) LMNAMC4RCHKACA2NCF1
SCHEMBL27934011 0.81 ALDH1A1 (0.62) LMNALPLLIPGCA2ALDH1A1
SCHEMBL28440571 0.81 LMNA (0.53) LMNAMC4RCHKAHDAC6CA2
SCHEMBL2557827 0.79 HRH3 (0.65) HDAC6NCF1ALDH1A1POLBHRH3
SCHEMBL14934864 0.79 HRH3 (0.53) LMNAMC4RCHKAHDAC6CA2
SCHEMBL29951850 0.79 LPL (0.50) LMNAMC4RCHKALPLLIPG
SCHEMBL1427526 0.78 HRH3 (0.69) NCF1ALDH1A1POLBHRH3KDM4E
SCHEMBL29952315 0.78 HRH3 (0.69) NCF1ALDH1A1POLBHRH3KDM4E

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
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
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES 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 (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-20090215776-A1 Organic compounds REN, RXFP1, MYLK LMNA 903/4885MC4R 1915/4885CHKA 3579/4885

“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.