SCHEMBL2137948

SCHEMBL2137948

CCN(CC)CCCCCCCCCCN(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 5/20 0.41
PAOX Q6QHF9 1/20 0.41
TSHR P16473 1/20 0.41
DNM1 Q05193 1/20 0.40
SLC2A1 P11166 1/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL28723073 1.00 SIGMAR1 (0.46) SIGMAR1ALDH1A1HRH4HRH3KCNH2
SCHEMBL6366393 1.00 SIGMAR1 (0.46) SIGMAR1ALDH1A1HRH4HRH3KCNH2
SCHEMBL1313942 1.00 SIGMAR1 (0.46) SIGMAR1ALDH1A1HRH4HRH3KCNH2
SCHEMBL2142541 1.00 SIGMAR1 (0.46) SIGMAR1ALDH1A1HRH4HRH3KCNH2
SCHEMBL2141035 1.00 SIGMAR1 (0.46) SIGMAR1ALDH1A1HRH4HRH3KCNH2
SCHEMBL2564528 1.00 SIGMAR1 (0.46) SIGMAR1ALDH1A1HRH4HRH3KCNH2
SCHEMBL757439 0.96 SIGMAR1 (0.44) SIGMAR1ALDH1A1HRH4HRH3KCNH2
SCHEMBL5990364 0.96 SIGMAR1 (0.44) SIGMAR1ALDH1A1HRH4HRH3KCNH2
SCHEMBL15052279 0.96 SIGMAR1 (0.48) SIGMAR1ALDH1A1HRH4HRH3KCNH2
SCHEMBL234338 0.96 SIGMAR1 (0.48) SIGMAR1ALDH1A1HRH4HRH3KCNH2

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-7897171-B2 Medical devices having improved mechanical performance BOSTON SCIENTIFIC SCIMED, INC. (US) 2011-03-01 US disclosed
US-20090186067-A1 MEDICAL DEVICES HAVING IMPROVED MECHANICAL PERFORMANCE BOSTON SCIENTIFIC SCIMED, INC. (US) 2009-07-23 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-20090186067-A1 MEDICAL DEVICES HAVING IMPROVED MECHANICAL PERFORMANCE PIGS, TNNI3, TNNC1 SIGMAR1 3137/4885ALDH1A1 4108/4885HRH4 2965/4885

“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.