SCHEMBL4439503

SCHEMBL4439503

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 10/20 0.57
MAPK1 P28482 3/20 0.57
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 2/20 0.51
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL4436884 0.87 MEN1 (0.63) LMNASMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL102545 0.85 MAPT (0.60) LMNASMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL31615706 0.85 MAPT (0.60) LMNASMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL11456145 0.83 SMN1; SMN2 (0.82) LMNASMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL4432015 0.83 MAPT (0.53) LMNASMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL30998112 0.83 MAPT (0.63) LMNAMAPTMAPK1ALDH1A1KMT2A
SCHEMBL4435451 0.83 MAPT (0.63) LMNAMAPTMAPK1ALDH1A1KMT2A
SCHEMBL11907383 0.82 NPC1 (0.61) LMNASMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL4434853 0.82 MAPT (0.60) LMNASMN1; SMN2MAPTMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL11726620 0.82 SMN1; SMN2 (0.80) LMNASMN1; SMN2MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 CN disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 CN disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 LMNA 2380/4885SMN1; SMN2 2557/4885MAPT 4106/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 LMNA 2380/4885SMN1; SMN2 2557/4885MAPT 4106/4885

“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.