SCHEMBL90797

SCHEMBL90797

CN1CCC(C(N)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
CYP2D6 P10635 4/20 0.46
CHRM2 P08172 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD1 P21728 2/20 0.46
DRD3 P35462 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAPK1 P28482 1/20 0.45
AKT2 P31751 1/20 0.45
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 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
SCHEMBL14588870 1.00 OPRM1 (0.46) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL2554948 0.89 OPRM1 (0.53) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL21848131 0.85 OPRM1 (0.41) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL14431944 0.81 CYP2D6 (0.47) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL90586 0.76 CHRM2 (0.44) CHRM2CHRM1DRD1DRD3KCNH2
SCHEMBL21848129 0.76 TDP1 (0.43) CYP2D6MAPK1AKT2OPRD1HTR2A
SCHEMBL90432 0.76 CHRM2 (0.36) OPRM1CHRM2CHRM1OPRK1CHRM3
SCHEMBL21848128 0.76 TDP1 (0.43) CYP2D6MAPK1AKT2OPRD1HTR2A
SCHEMBL3392214 0.75 CARM1 (0.63) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL5945366 0.75 IDO1 (0.54) OPRM1CYP2D6MAPK1AKT2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129533-B2 Method for production of quinolone-containing lyophilized preparation DALICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-8129533-B2 Method for production of quinolone-containing lyophilized preparation DALICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-7875722-B2 having high antibacterial activity and high safety, at high yield and in a simple manner; one-pot process DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-25 US disclosed
US-7875722-B2 having high antibacterial activity and high safety, at high yield and in a simple manner; one-pot process DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-25 US disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
EP-2130827-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-12-09 EP disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 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-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation NQO2, TREH, CYP51A1 OPRM1 4250/4885CYP2D6 194/4885CHRM2 4191/4885
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE NQO2, QPCT, QARS1 OPRM1 3811/4885CYP2D6 102/4885CHRM2 3642/4885

“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.