SCHEMBL12420616

SCHEMBL12420616

c1cc(CCCC2CCCCC2)cc(CN2CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
HRH3 Q9Y5N1 2/20 0.45
GLS O94925 2/20 0.43
MLNR O43193 1/20 0.43
MIF P14174 1/20 0.43
CCR5 P51681 1/20 0.42
SLC18A3 Q16572 1/20 0.41
CXCR4 P61073 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
PRMT6 Q96LA8 1/20 0.41
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2C P18825 1/20 0.41
CCR2 P41597 1/20 0.41
CXCL12 P48061 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL12420613 0.79 HRH3 (0.51) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL2196646 0.78 HRH3 (0.50) SIGMAR1HRH3
SCHEMBL21961925 0.77 SIGMAR1 (0.71) SIGMAR1HRH3CXCR4TDP1PRMT6
SCHEMBL1259602 0.77 SIGMAR1 (0.71) SIGMAR1HRH3CXCR4TDP1PRMT6
SCHEMBL6237364 0.76 SIGMAR1 (0.61) SIGMAR1HRH3CXCR4TDP1PRMT6
SCHEMBL2194890 0.76 SIGMAR1 (0.53) SIGMAR1HRH3CXCR4TDP1MEN1
SCHEMBL2197592 0.76 MIF (0.49) GLSMIFMEN1KMT2AALDH1A1
Bromide SCHEMBL1259195 0.75 SIGMAR1 (0.69) SIGMAR1HRH3CXCR4TDP1PRMT6
SCHEMBL2197339 0.75 SLC18A3 (0.46) SIGMAR1CCR5SLC18A3
SCHEMBL674945 0.73 CXCR4 (0.75) SIGMAR1HRH3CXCR4TDP1PRMT6

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 SIGMAR1 1928/4885HRH3 94/4885GLS 447/4885

“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.