SCHEMBL90586

SCHEMBL90586

COc1ccccc1C(N)C1CCN(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
MC4R P32245 1/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
HTR1A P08908 3/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41
DRD2 P14416 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD3 P35462 3/20 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
SCHEMBL14862503 0.81 CA1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1494144 0.78 CA1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14588870 0.76 OPRM1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL90797 0.76 OPRM1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5666369 0.74 IDO1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7486348 0.72 OPRM1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL90607 0.72 MC4R (0.43) CHRM3MC4R
SCHEMBL90432 0.70 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18268355 0.70 SLC18A2 (0.48) CHRM4CHRM5CHRM3HTR2BHTR1D
SCHEMBL13416040 0.69 DRD2 (0.61) HTR2AHTR2CHTR2BHTR1AHTR1D

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 11 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
EP-1930006-A1 METHOD FOR PRODUCTION OF QUINOLONE-CONTAINING LYOPHILIZED PREPARATION Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP 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 CHRM2 4191/4885CHRM4 3840/4885CHRM5 2745/4885
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE NQO2, QPCT, QARS1 CHRM2 3642/4885CHRM4 2881/4885CHRM5 2709/4885

“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.