SCHEMBL404380

SCHEMBL404380

CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Br)cc3n3cnnc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
HRH4 Q9H3N8 5/20 0.51
HRH3 Q9Y5N1 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 5/20 0.48
HSD17B10 Q99714 4/20 0.48
TP53 P04637 4/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CASP7 P55210 1/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 4/20 0.47
PKM P14618 1/20 0.47
BACE1 P56817 1/20 0.45
ESR1 P03372 1/20 0.43

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
SCHEMBL404402 0.92 KDM4E (0.50) KDM4EHRH4HRH3SMN1; SMN2MAPT
SCHEMBL404405 0.89 HRH4 (0.66) KDM4EHRH4HRH3SMN1; SMN2MAPT
SCHEMBL440093 0.87 KDM4E (0.59) KDM4EHRH4HRH3SMN1; SMN2MAPT
SCHEMBL405963 0.87 KDM4E (0.55) KDM4EHRH4HRH3SMN1; SMN2MAPT
SCHEMBL462720 0.85 KDM4E (0.49) KDM4EHRH4HRH3SMN1; SMN2MAPT
SCHEMBL14828827 0.84 HRH4 (0.67) KDM4EHRH4HRH3
SCHEMBL12329816 0.82 BACE1 (0.43) KDM4EALDH1A1POLBBACE1
SCHEMBL404397 0.82 KDM4E (0.51) KDM4EHRH4HRH3SMN1; SMN2MAPT
SCHEMBL12225201 0.81 KDM4E (0.46) KDM4EHRH4HRH3SMN1; SMN2MAPT
SCHEMBL463615 0.80 KDM4E (0.48) KDM4EHRH4HRH3SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885HRH4 1/4885HRH3 2/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885HRH4 1/4885HRH3 2/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885HRH4 1/4885HRH3 2/4885

“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.