SCHEMBL3554056

SCHEMBL3554056

CCOC(=O)N1CCC(C(=O)c2nc3ccccc3n2CCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
POLB P06746 2/20 0.56
HRH1 P35367 2/20 0.54
TACR2 P21452 1/20 0.54
TACR1 P25103 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PDE6D O43924 2/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL13317058 0.88 KDM4E (0.54) KDM4EPOLBHRH1TACR2TACR1
Bromide SCHEMBL9695606 0.85 POLB (0.62) KDM4EPOLBHRH1TACR2TACR1
SCHEMBL9266568 0.83 HRH1 (0.66) HRH1TACR2TACR1L3MBTL1SMN1; SMN2
SCHEMBL6993510 0.83 L3MBTL1 (0.48) KDM4EPOLBL3MBTL1MEN1KMT2A
Fumaric Acid SCHEMBL9697232 0.82 POLB (0.58) KDM4EPOLBHRH1TACR2TACR1
SCHEMBL3555222 0.81 KDM4E (0.47) KDM4EPOLBL3MBTL1MEN1KMT2A
SCHEMBL9695580 0.80 POLB (0.60) KDM4EPOLBHRH1TACR2TACR1
SCHEMBL7899281 0.79 HRH1 (0.54) HRH1TACR2TACR1PDE6DSMN1; SMN2
SCHEMBL9260913 0.79 HRH1 (0.51) KDM4EHRH1
Bromide SCHEMBL3553550 0.79 POLB (0.59) KDM4EPOLBHRH1TACR2TACR1

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
EP-1401838-B1 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2014-03-26 EP disclosed
EP-1401838-B1 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2014-03-26 EP disclosed
US-7732437-B2 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN PHARMACEUTICA, NV. (BE) 2010-06-08 US disclosed
US-7732437-B2 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN PHARMACEUTICA, NV. (BE) 2010-06-08 US disclosed
US-7732437-B2 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN PHARMACEUTICA, NV. (BE) 2010-06-08 US disclosed
US-7476662-B2 Substituted tetracyclic imidazole derivatives, processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-13 US disclosed
US-7476662-B2 Substituted tetracyclic imidazole derivatives, processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-13 US disclosed
US-7476662-B2 Substituted tetracyclic imidazole derivatives, processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-13 US disclosed
EP-1451196-B1 The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 EP disclosed
EP-1451196-B1 The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 EP disclosed
US-20050070525-A1 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN-CILAG GMBH (DE) 2005-03-31 US disclosed
EP-1451196-A1 THE USE OF ANTI-HISTAMINICS FOR ACUTE REDUCTION OF ELEVATED INTRACRANIAL PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-01 EP disclosed
US-20040167138-A1 Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-26 US disclosed
EP-1401838-A2 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-31 EP disclosed
WO-2003044023-A1 THE USE OF ANTI-HISTAMINICS FOR ACUTE REDUCTION OF ELEVATED INTRACRANIAL PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-30 WO disclosed
WO-2002100862-A2 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2002-12-19 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-20050070525-A1 Use of anti-histaminics for acute reduction of elevated intracranial pressure HRH2, HRH3, HRH4 KDM4E 3457/4885POLB 3028/4885HRH1 4/4885
US-20040167138-A1 Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine AIFM1, PTGIS, ATP6V1B2 KDM4E 4219/4885POLB 2179/4885HRH1 645/4885

“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.