SCHEMBL13227199

SCHEMBL13227199

CN(C)CCC(=O)CCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.53
KDM4E B2RXH2 1/20 0.50
MTNR1A P48039 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
IAPP P10997 1/20 0.44
HCRTR1 O43613 1/20 0.44
HTR2A P28223 1/20 0.43
NQO2 P16083 1/20 0.43
HTR6 P50406 1/20 0.43
P2RX7 Q99572 1/20 0.42

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 0.87 TDP1 (0.58) CDYLKDM4EMTNR1ACYP1A2CYP2C19
SCHEMBL13227200 0.86 TDP1 (0.56) CDYLCYP1A2CYP2D6CYP2C19TDP1
SCHEMBL6282199 0.81 MTNR1A (0.50) CDYLKDM4EMTNR1ACYP1A2TDP1
SCHEMBL8400463 0.81 IAPP (0.58) CDYLKDM4EMTNR1ACYP1A2CYP2D6
SCHEMBL9404001 0.80 MTNR1A (0.58) CDYLKDM4EMTNR1ACYP1A2TDP1
SCHEMBL605212 0.80 HTR2A (0.61) CYP1A2CYP2D6CYP2C19HTR2A
SCHEMBL6708222 0.80 MTNR1A (0.50) CDYLKDM4EMTNR1ACYP1A2TDP1
SCHEMBL6422150 0.80 CDYL (0.53) CDYLKDM4EMTNR1ACYP1A2CYP2D6
SCHEMBL11983099 0.79 CDYL (0.64) CDYLKDM4EMTNR1ATDP1GPR84
SCHEMBL27891939 0.78 TDP1 (0.51) CDYLKDM4EMTNR1ACYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ANDRIES KOENRAAD JOZEF LODEWIJK MARCEL (BE) 2013-01-31 US disclosed
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ANDRIES KOENRAAD JOZEF LODEWIJK MARCEL (BE) 2013-01-31 US disclosed
US-20100204270-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-12 US disclosed
US-20100204270-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-12 US disclosed
WO-2007000436-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 (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-20100204270-A1 Quinoline Derivatives as Antibacterial Agents NQO2, NDUFB7, NQO1 CDYL 4291/4885KDM4E 4433/4885MTNR1A 1183/4885
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS NQO2, NDUFB7, NDUFA7 CDYL 4560/4885KDM4E 4224/4885MTNR1A 494/4885

“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.