SCHEMBL15033008

SCHEMBL15033008

COC(=O)c1ccc(CN2CCC(N)CC2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.47
KDM4E B2RXH2 3/20 0.46
PTBP1 P26599 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTR4 Q13639 2/20 0.45
CCR3 P51677 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPK10 P53779 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR1D P28221 1/20 0.43
ADRA1B P35368 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
SCHEMBL2624494 0.86 L3MBTL1 (0.59) ALDH1A1TDP1LMNAKDM4EMEN1
SCHEMBL15033013 0.85 ALDH1A1 (0.47) ALDH1A1POLBLMNAKDM4EMEN1
SCHEMBL221971 0.82 SMN1; SMN2 (0.56) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL15058288 0.80 SSTR5 (0.49) ALDH1A1POLBTDP1MAPK10
SCHEMBL2226923 0.79 ALDH1A1 (0.62) ALDH1A1POLBTDP1LMNAKDM4E
SCHEMBL15033011 0.79 KDM4E (0.67) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL38659323 0.79 MAPT (0.60) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL17557535 0.78 KDM4E (0.65) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3629950 0.78 ALDH1A1 (0.47) ALDH1A1POLBTDP1LMNAKDM4E
SCHEMBL17835560 0.78 KDM4E (0.54) ALDH1A1POLBLMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794595-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-8859559-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-8859559-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
WO-2013092674-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed
US-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US 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-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 ALDH1A1 1089/4885POLB 3779/4885TDP1 3365/4885

“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.