SCHEMBL4873665

SCHEMBL4873665

CN(C)CCNCCN(C)CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.80
TP53 P04637 3/20 0.74
CYP1A2 P05177 3/20 0.74
MEN1 O00255 1/20 0.74
ALDH1A1 P00352 1/20 0.74
MAPT P10636 1/20 0.74
CYP2C19 P33261 1/20 0.74
KMT2A Q03164 1/20 0.74
KCNH2 Q12809 1/20 0.56
CYP2D6 P10635 2/20 0.55
TSHR P16473 2/20 0.55
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
CYP3A4 P08684 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53

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
SCHEMBL2830423 0.85 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL5681292 0.85 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2MEN1ALDH1A1
Bromide SCHEMBL1780137 0.84 SIGMAR1 (0.97) SIGMAR1TP53CYP1A2MEN1ALDH1A1
Bromide SCHEMBL31601130 0.84 SIGMAR1 (0.97) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL10262038 0.82 SIGMAR1 (0.79) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL18768837 0.81 SIGMAR1 (0.73) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL14149704 0.76 SIGMAR1 (0.71) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL18160913 0.76 TAAR1 (0.62) SIGMAR1KCNH2
SCHEMBL4873654 0.75 SIGMAR1 (0.61) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL9160104 0.74 SIGMAR1 (0.67) SIGMAR1TP53CYP1A2MEN1ALDH1A1

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-20080153917-A1 Sigma Receptor Ligands UCB PHARMA, S.A. (BE) 2008-06-26 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-20080153917-A1 Sigma Receptor Ligands SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885TP53 4797/4885CYP1A2 141/4885

“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.