SCHEMBL2944895

SCHEMBL2944895

O=C(O)NCC(O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.57
CHRM4 P08173 2/20 0.54
SIGMAR1 Q99720 1/20 0.52
DRD4 P21917 1/20 0.52
ACHE P22303 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL13238505 0.83 CHRM2 (0.55) CHRM2CHRM4ACHE
SCHEMBL5228400 0.80 ACHE (0.60) SIGMAR1DRD4ACHE
SCHEMBL18848489 0.79 ACHE (0.54) SIGMAR1DRD4ACHE
SCHEMBL28639634 0.79 ACHE (0.54) SIGMAR1DRD4ACHE
SCHEMBL8948610 0.79 SIGMAR1 (0.55) SIGMAR1ACHE
SCHEMBL2953321 0.79 ACHE (0.54) SIGMAR1DRD4ACHE
SCHEMBL19450643 0.78 ACHE (0.61) SIGMAR1DRD4ACHE
SCHEMBL11446990 0.76 SIGMAR1 (0.52) SIGMAR1ACHE
SCHEMBL7651915 0.75 ACHE (0.62) SIGMAR1DRD4ACHE
SCHEMBL19770184 0.75 ACHE (0.62) SIGMAR1DRD4ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 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 (2 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-20080139539-A1 Antibacterial Agents NQO2, NQO1, NRDC CHRM2 4696/4885CHRM4 4369/4885SIGMAR1 971/4885
US-20090181955-A1 Antibacterial Agents NQO2, NQO1, NRDC CHRM2 4696/4885CHRM4 4369/4885SIGMAR1 971/4885

“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.