SCHEMBL3240100

SCHEMBL3240100

[CH2]c1ccc(CN(C)Cc2ccc(OCCN3CCOCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
LTA4H P09960 1/20 0.57
HRH3 Q9Y5N1 3/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
HTR2A P28223 1/20 0.52
SCN1A P35498 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52
SCN2A Q99250 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SCN3A Q9NY46 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL1992183 0.87 NPC1 (0.66) LTA4HHRH3MAPK1ALDH1A1CYP1A2
SCHEMBL19135749 0.82 BCHE (0.59) BCHEACHELTA4HHRH3MAPK1
SCHEMBL4485540 0.78 LTA4H (0.69) LTA4HHRH3MAPK1ALDH1A1CYP1A2
SCHEMBL11882474 0.77 LTA4H (0.71) BCHEACHELTA4HHRH3ALDH1A1
SCHEMBL7954349 0.76 LTA4H (0.63) LTA4HHRH3ALDH1A1NPC1RAB9A
SCHEMBL19602863 0.76 LTA4H (0.66) LTA4HHRH3MAPK1ALDH1A1CYP1A2
SCHEMBL10898384 0.76 ALDH1A1 (0.68) LTA4HHRH3MAPK1ALDH1A1CYP1A2
SCHEMBL113404 0.76 LTA4H (0.69) LTA4HHRH3MAPK1ALDH1A1CYP1A2
SCHEMBL2249548 0.76 LTA4H (0.69) LTA4HHRH3MAPK1ALDH1A1CYP1A2
SCHEMBL82383 0.75 ALDH1A1 (0.67) LTA4HHRH3MAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 BCHE 2569/4885ACHE 4393/4885LTA4H 665/4885

“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.