SCHEMBL12420874

SCHEMBL12420874

c1cc(CN2CCNCC2)cc(OCCC2CCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.50
HRH3 Q9Y5N1 2/20 0.44
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2C P18825 1/20 0.38
CCR2 P41597 1/20 0.38
CXCL12 P48061 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL13806601 0.82 HRH3 (0.55) CXCR4HRH3BCHEACHEMEN1
SCHEMBL12420613 0.80 HRH3 (0.51) HRH3SIGMAR1DRD2DRD4
Hydrochloric Acid SCHEMBL2196646 0.79 HRH3 (0.50) HRH3SIGMAR1DRD2DRD4
SCHEMBL16453526 0.77 LOX (0.46) LOXLOXL2MEN1KMT2ANFE2L2
SCHEMBL12420773 0.77 PROKR1 (0.43) HRH3SIGMAR1KDM4C
Hydrochloric Acid SCHEMBL2195999 0.76 PROKR1 (0.42) HRH3SIGMAR1KDM4C
SCHEMBL2196712 0.74 FAAH (0.53) MEN1KMT2A
SCHEMBL2197071 0.74 FAAH (0.41) MEN1CCR2KMT2A
SCHEMBL13806541 0.74 ROCK1 (0.44) HRH3LOXLOXL2NFE2L2
SCHEMBL2196108 0.73 FAAH (0.57)

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 CXCR4 2314/4885HRH3 94/4885BCHE 237/4885

“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.