SCHEMBL6695503

SCHEMBL6695503

CC(=O)OC1CCCCN1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.39
CHRM1 P11229 4/20 0.39
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRM4 P08173 3/20 0.39
CHRM3 P20309 3/20 0.39
ALDH1A1 P00352 1/20 0.37
CHRM5 P08912 2/20 0.36
SLC18A3 Q16572 1/20 0.35

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
Hydrochloric Acid SCHEMBL11525254 0.98 MEN1 (0.40) CHRM2CHRM1MEN1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL21801417 0.92 SMN1; SMN2 (0.40) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL2788345 0.84 CHRNB2 (0.33) CYP2D6ALDH1A1
SCHEMBL17629524 0.84 CHRNB2 (0.33) CYP2D6ALDH1A1
SCHEMBL28634630 0.78 SMN1; SMN2 (0.30)
SCHEMBL3905171 0.78 SMN1; SMN2 (0.38) CYP2D6
SCHEMBL688825 0.78 SMN1; SMN2 (0.38) CYP2D6
SCHEMBL688697 0.78 SMN1; SMN2 (0.38) CYP2D6
SCHEMBL8704065 0.76 SMN1; SMN2 (0.37) CYP2D6
SCHEMBL8682105 0.73 CHRM1 (0.44) CHRM1CYP2D6CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed
CN-103459388-B Novel furanone derivative CARNA BIOSCIENCES, INC. (JP) 2015-11-25 CN disclosed
CN-103459388-A Novel furanone derivative SBI BIOTECH CO LTD 2013-12-18 CN disclosed
CN-101128456-B Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB 2013-01-23 CN disclosed
CN-101128456-A Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2008-02-20 CN disclosed
US-6608078-B2 Gramnegative bacteria WOCKHARDT LIMITED (IN) 2003-08-19 US disclosed
US-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment WOCKHARDT RESEARCH CENTER 2002-11-07 US disclosed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP disclosed
WO-2001085728-A2 ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT WOCKHARDT LIMITED (IN) 2001-11-15 WO disclosed
CN-1031376-A Pyrazolopyridine compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1989-03-01 CN 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-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment ALPI, POLR1C, POLI CHRM2 3743/4885CHRM1 2151/4885MEN1 3127/4885

“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.