SCHEMBL5650503

SCHEMBL5650503

CN(C(=O)OCc1ccccc1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
OPRK1 P41145 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FKBP1A P62942 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL23001584 0.86 SIGMAR1 (0.52) SIGMAR1ALDH1A1CHRM2CHRM5CHRM1
SCHEMBL5493436 0.84 SIGMAR1 (0.51) SIGMAR1ALDH1A1CHRM2CHRM5CHRM1
Hydrochloric Acid SCHEMBL5493434 0.83 SIGMAR1 (0.50) SIGMAR1ALDH1A1CHRM2CHRM5CHRM1
SCHEMBL6172740 0.79 SIGMAR1 (0.49) SIGMAR1ALDH1A1CHRM2CHRM5CHRM1
SCHEMBL4283767 0.79 HRH3 (0.56) SIGMAR1ALDH1A1HRH3
SCHEMBL25416506 0.78 MEN1 (0.51) SIGMAR1ALDH1A1OPRK1MEN1KMT2A
SCHEMBL29837200 0.77 SIGMAR1 (0.45) SIGMAR1ALDH1A1CHRM2CHRM5CHRM1
SCHEMBL23944892 0.77 ALDH1A1 (0.58) SIGMAR1ALDH1A1MAPTHPGDKMT2A
Benzyl Dimethylcarbamate SCHEMBL20401678 0.77 ALDH1A1 (0.62) SIGMAR1ALDH1A1MAPTHPGDKMT2A
Benzyl Dimethylcarbamate SCHEMBL5134244 0.77 ALDH1A1 (0.62) SIGMAR1ALDH1A1MAPTHPGDKMT2A

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-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 SIGMAR1 882/4885ALDH1A1 2434/4885MAPT 4752/4885

“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.