SCHEMBL3548654

SCHEMBL3548654

CC(C)(C)N(CC1CN(Cc2ccccc2)CCC1O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
ACHE P22303 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
BCHE P06276 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL3548657 1.00 OPRM1 (0.47) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL3548653 1.00 OPRM1 (0.47) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL1995216 0.88 OPRM1 (0.47) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL3524495 0.84 ACHE (0.53) OPRM1CHRM2CHRM3ACHEBCHE
SCHEMBL4397749 0.84 ACHE (0.53) OPRM1CHRM2CHRM3ACHEBCHE
SCHEMBL7226848 0.77 ALDH1A1 (0.55) ACHEBCHEALDH1A1KDM4E
SCHEMBL3547834 0.77 ALDH1A1 (0.55) ACHESIGMAR1BCHEALDH1A1
SCHEMBL3547840 0.77 ALDH1A1 (0.55) ACHESIGMAR1BCHEALDH1A1
SCHEMBL3547837 0.77 ALDH1A1 (0.55) ACHESIGMAR1BCHEALDH1A1
SCHEMBL8844605 0.77 OPRM1 (0.50) OPRM1CHRM2CHRM3ALDH1A1KDM4E

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-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS OPRM1 92/4885CHRM2 4199/4885CHRM3 4360/4885

“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.