SCHEMBL11983099

SCHEMBL11983099

CCN(CC)CCCCC(=O)CCc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.64
KDM4E B2RXH2 2/20 0.60
BCHE P06276 3/20 0.45
ACHE P22303 2/20 0.45
IAPP P10997 2/20 0.44
MC4R P32245 1/20 0.43
MTNR1A P48039 2/20 0.43
RAD52 P43351 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7340131 0.81 TDP1 (0.58) CDYLKDM4EIAPPMTNR1ATDP1
Hydrochloric Acid SCHEMBL25414849 0.80 CDYL (0.54) CDYLKDM4EBCHEACHEHTR1D
Water SCHEMBL11575200 0.80 CDYL (0.54) CDYLKDM4EBCHEACHEHTR1D
Water SCHEMBL11572310 0.80 CDYL (0.54) CDYLKDM4EBCHEACHEHTR1D
Hydrochloric Acid SCHEMBL25415558 0.80 CDYL (0.54) CDYLKDM4EBCHEACHEHTR1D
Hydrochloric Acid SCHEMBL25412958 0.80 CDYL (0.54) CDYLKDM4EBCHEACHEHTR1D
Water SCHEMBL11574476 0.80 CDYL (0.54) CDYLKDM4EBCHEACHEHTR1D
Hydrochloric Acid SCHEMBL25414605 0.80 CDYL (0.54) CDYLKDM4EBCHEACHEHTR1D
Water SCHEMBL11571513 0.80 CDYL (0.54) CDYLKDM4EBCHEACHEHTR1D
Water SCHEMBL11572069 0.80 CDYL (0.54) CDYLKDM4EBCHEACHEHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841321-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2014-09-23 US disclosed
US-8841321-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2014-09-23 US disclosed
EP-1898914-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-15 EP disclosed
US-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-25 US disclosed
US-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-25 US disclosed
WO-2007000435-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO 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-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS NQO2, HRH1, HRH2 CDYL 4360/4885KDM4E 3590/4885BCHE 2614/4885

“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.