SCHEMBL1066934

SCHEMBL1066934

CCCOc1cc(C(F)(F)F)ccc1OC1C2CCCC1CN(c1ccc(C(F)(F)F)cn1)C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.49
HCRTR2 O43614 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
ABL1 P00519 1/20 0.39
ACACB O00763 1/20 0.37
HSD11B1 P28845 3/20 0.37
GPR119 Q8TDV5 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CXCR3 P49682 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL385013 0.96 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL10107126 0.96 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL16433636 0.94 HCRTR1 (0.47) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL16433613 0.90 HCRTR1 (0.49) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL10107157 0.89 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL382980 0.89 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL10107166 0.88 HCRTR1 (0.53) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL12932352 0.84 HCRTR1 (0.55) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL10107160 0.83 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E
SCHEMBL1066135 0.83 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2HPGDKDM4E

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
EP-1731518-B1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO (JP) 2014-06-25 EP disclosed
US-7868178-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2011-01-11 US disclosed
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2009-06-04 US disclosed
US-7485727-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2009-02-03 US disclosed
US-20080045569-A1 Cyclic Amine Compound and Pest Control Agent NIPPON SODA CO., LTD. (JP) 2008-02-21 US disclosed
EP-1731518-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2006-12-13 EP 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-20080045569-A1 Cyclic Amine Compound and Pest Control Agent H1-0, H1-2, H1-4 HCRTR1 41/4885HCRTR2 202/4885SMN1; SMN2 2535/4885
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT TAAR1, CBR3, CBR1 HCRTR1 13/4885HCRTR2 60/4885SMN1; SMN2 2914/4885

“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.