SCHEMBL1475593

SCHEMBL1475593

CC(C)N1CCC(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.55
HRH3 Q9Y5N1 2/20 0.47
KCNH2 Q12809 2/20 0.47
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX1 P07099 1/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
TRPV6 Q9H1D0 1/20 0.42
MITF O75030 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIA4 P48058 1/20 0.42
HPGD P15428 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
KCNJ1 P48048 1/20 0.40
ESRRG P62508 1/20 0.40

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
SCHEMBL27765287 0.85 SLC18A3 (0.53) SLC18A3ALDH1A1GAAEPHX1MAPT
SCHEMBL27765289 0.85 SLC18A3 (0.50) SLC18A3KCNH2ALDH1A1GAAEPHX1
SCHEMBL426360 0.82 SLC18A3 (0.58) SLC18A3HRH3ALDH1A1GAAMAPT
SCHEMBL1066991 0.79 SLC18A3 (0.57) SLC18A3ALDH1A1GAATDP1MAPT
SCHEMBL15911925 0.79 SLC18A3 (0.57) SLC18A3ALDH1A1GAATDP1MAPT
SCHEMBL27496791 0.79 SLC18A3 (0.58) SLC18A3ALDH1A1GAAMAPTMAPK1
SCHEMBL29106607 0.79 SLC18A3 (0.58) SLC18A3KCNH2ALDH1A1GAAMAPT
SCHEMBL4732675 0.78 SLC18A3 (0.55) SLC18A3HRH3ALDH1A1GAAMAPT
SCHEMBL4763328 0.78 SLC18A3 (0.55) SLC18A3KCNH2ALDH1A1TRPV6HPGD
SCHEMBL21066230 0.78 ESRRG (0.75) KCNH2ESRRG

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027124-B1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-07-03 EP disclosed
EP-2027124-B1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-07-03 EP disclosed
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N. V. (BE) 2012-01-12 US disclosed
US-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-09-08 US disclosed
WO-2008065199-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 WO disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
WO-2007138072-A2 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-12-06 WO disclosed
WO-2007138072-A2 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-12-06 WO disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
WO-2007131991-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-11-22 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 (4 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-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 SLC18A3 4761/4885HRH3 2440/4885KCNH2 2626/4885
US-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES COL2A1, MMP1, COL1A1 SLC18A3 4545/4885HRH3 1575/4885KCNH2 1598/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 SLC18A3 4761/4885HRH3 2440/4885KCNH2 2626/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B SLC18A3 4147/4885HRH3 2803/4885KCNH2 1297/4885

“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.