SCHEMBL12420619

SCHEMBL12420619

c1cc(CN2CCNCC2)ncc1OCCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.55
CYP2D6 P10635 1/20 0.49
NFE2L2 Q16236 1/20 0.46
GRM2 Q14416 1/20 0.41
LTA4H P09960 3/20 0.39
KCNH2 Q12809 1/20 0.39
HPGD P15428 3/20 0.39
CXCR4 P61073 2/20 0.38
ACHE P22303 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
Hydrochloric Acid SCHEMBL2195589 0.99 HRH3 (0.54) HRH3CYP2D6NFE2L2GRM2LTA4H
SCHEMBL2196194 0.78 GPR119 (0.48) HRH3
SCHEMBL2195417 0.77 NFE2L2 (0.55) HRH3NFE2L2GRM2HPGD
SCHEMBL12420613 0.76 HRH3 (0.51) HRH3CYP2D6
SCHEMBL13806601 0.76 HRH3 (0.55) HRH3LTA4HCXCR4ACHE
SCHEMBL12420777 0.76 DRD3 (0.46) HRH3CYP2D6NFE2L2KCNH2ITGB3
Hydrochloric Acid SCHEMBL2196646 0.75 HRH3 (0.50) HRH3CYP2D6KCNH2
SCHEMBL23944117 0.75 HRH3 (0.49) HRH3LTA4HKCNH2CXCR4
SCHEMBL12420874 0.73 CXCR4 (0.50) HRH3NFE2L2CXCR4ACHE
SCHEMBL13806526 0.73 FAAH (0.49) HRH3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R HRH3 94/4885CYP2D6 3951/4885NFE2L2 1770/4885

“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.