SCHEMBL12138555

SCHEMBL12138555

CC(C)(C)C(=O)CN1CCNCCNCCNCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.53
CHRM5 P08912 2/20 0.49
CHRM3 P20309 2/20 0.49
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CXCR4 P61073 2/20 0.34

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
SCHEMBL2013094 0.98 SIGMAR1 (0.54) SIGMAR1CHRM5CHRM3ALDH1A1POLB
Hydrochloric Acid SCHEMBL2009643 0.96 SIGMAR1 (0.53) SIGMAR1CHRM5CHRM3ALDH1A1POLB
SCHEMBL7111499 0.96 SIGMAR1 (0.53) SIGMAR1CHRM5CHRM3ALDH1A1POLB
SCHEMBL25162175 0.89 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3ALDH1A1POLB
SCHEMBL4086161 0.83 ALDH1A1 (0.54) SIGMAR1ALDH1A1POLBKCNH2CACNA1I
SCHEMBL12206787 0.79 ALDH1A1 (0.49) SIGMAR1ALDH1A1POLBKCNH2CACNA1I
SCHEMBL8907384 0.79 ALDH1A1 (0.47) SIGMAR1ALDH1A1POLBKCNH2CACNA1I
SCHEMBL12428934 0.78 SIGMAR1 (0.44) SIGMAR1CHRM5CHRM3ALDH1A1POLB
SCHEMBL9232676 0.78 SIGMAR1 (0.46) SIGMAR1CHRM5CHRM3POLBSMN1; SMN2
SCHEMBL20946422 0.77 SIGMAR1 (0.63) SIGMAR1CHRM5CHRM3ALDH1A1CACNA1I

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-20110280802-A1 Linkers For Radiopharmaceutical Compounds BRACCO IMAGING S.P.A. (IT) 2011-11-17 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-20110280802-A1 Linkers For Radiopharmaceutical Compounds VIP, QPCT, NPPA SIGMAR1 3184/4885CHRM5 450/4885CHRM3 1139/4885

“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.