SCHEMBL15033010

SCHEMBL15033010

NC1CCN(Cc2ccc(CO)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
HRH3 Q9Y5N1 3/20 0.49
ACHE P22303 1/20 0.44
CCR3 P51677 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SPHK1 Q9NYA1 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CCR5 P51681 1/20 0.42
CYP2D6 P10635 1/20 0.42
RAB9A P51151 1/20 0.42
GRM2 Q14416 1/20 0.42

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
SCHEMBL15033034 0.85 ACHE (0.55) LTA4HHRH3ACHECCR5
SCHEMBL1021686 0.83 ALDH1A1 (0.60) LTA4HHRH3ACHEALDH1A1MEN1
SCHEMBL3181878 0.83 ALDH1A1 (0.63) LTA4HHRH3ACHECCR3ALDH1A1
SCHEMBL13556830 0.82 SPHK1 (0.63) HRH3ACHECCR3SPHK1CYP2D6
SCHEMBL8108384 0.81 BCHE (0.55) ACHE
SCHEMBL3141955 0.81 KDM4E (0.58) LTA4HHRH3ACHEALDH1A1CCR5
Hydrochloric Acid SCHEMBL11533737 0.81 MEN1 (0.58) LTA4HHRH3ACHEALDH1A1MEN1
Hydrochloric Acid SCHEMBL2673496 0.81 MEN1 (0.58) LTA4HHRH3ACHEALDH1A1MEN1
SCHEMBL3614984 0.81 ALDH1A1 (0.59) LTA4HHRH3ACHEALDH1A1MEN1
SCHEMBL2852933 0.81 BCHE (0.55) ACHE

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 LTA4H 241/4885HRH3 534/4885ACHE 1977/4885

“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.