SCHEMBL2194890

SCHEMBL2194890

c1cc(CN2CCNCC2)cc(C2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
DRD2 P14416 4/20 0.50
CXCR4 P61073 8/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2C P18825 1/20 0.45
CCR2 P41597 1/20 0.45
CXCL12 P48061 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD3 P35462 2/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44

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
SCHEMBL13293710 0.83 SMN1; SMN2 (0.58) DRD2TDP1HRH3SMN1; SMN2ALDH1A1
SCHEMBL26014815 0.82 CXCR4 (0.58) SIGMAR1CXCR4TDP1MEN1CHRM2
SCHEMBL22375323 0.82 CXCR4 (0.58) SIGMAR1CXCR4TDP1MEN1CHRM2
SCHEMBL1259602 0.78 SIGMAR1 (0.71) SIGMAR1CXCR4TDP1MEN1CHRM2
SCHEMBL21961925 0.78 SIGMAR1 (0.71) SIGMAR1CXCR4TDP1MEN1CHRM2
SCHEMBL6237364 0.77 SIGMAR1 (0.61) SIGMAR1CXCR4TDP1MEN1CHRM2
Bromide SCHEMBL1259195 0.76 SIGMAR1 (0.69) SIGMAR1CXCR4TDP1MEN1CHRM2
SCHEMBL12420616 0.76 SIGMAR1 (0.48) SIGMAR1CXCR4TDP1MEN1CHRM2
SCHEMBL13499190 0.75 SMN1; SMN2 (0.49) TDP1MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL674945 0.74 CXCR4 (0.75) SIGMAR1CXCR4TDP1MEN1CHRM2

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
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP 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 SIGMAR1 1928/4885DRD2 1917/4885CXCR4 2314/4885

“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.