SCHEMBL385891

SCHEMBL385891

COc1cc(C(F)(F)F)ccc1OC1CC2CCC(C1)N2c1ccc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
SCD O00767 5/20 0.39
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HTR2A P28223 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL10107103 1.00 HCRTR1 (0.41) HCRTR1HCRTR2SCDKDM4EABL1
SCHEMBL16433608 0.93 HCRTR1 (0.39) HCRTR1HCRTR2SCDKDM4EABL1
SCHEMBL10107250 0.90 SCD (0.37) HCRTR1HCRTR2SCDKDM4EABL1
SCHEMBL13928765 0.90 SCD (0.37) HCRTR1HCRTR2SCDKDM4EABL1
SCHEMBL382986 0.90 SCD (0.37) HCRTR1HCRTR2SCDKDM4EABL1
SCHEMBL13799810 0.90 SCD (0.37) HCRTR1HCRTR2SCDKDM4EABL1
SCHEMBL15827403 0.90 SCD (0.37) HCRTR1HCRTR2SCDKDM4EABL1
SCHEMBL13799816 0.89 KDM4E (0.41) HCRTR1HCRTR2SCDKDM4EABL1
SCHEMBL10119801 0.89 KDM4E (0.41) HCRTR1HCRTR2SCDKDM4EABL1
SCHEMBL383378 0.88 HCRTR2 (0.39) HCRTR1HCRTR2SCDKDM4EABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45364-E1 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2015-02-03 US disclosed
EP-1731518-B1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO (JP) 2014-06-25 EP disclosed
US-8101768-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2012-01-24 US 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-20080319003-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2008-12-25 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 (3 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 202/4885SCD 4747/4885
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT TAAR1, CBR3, CBR1 HCRTR1 13/4885HCRTR2 60/4885SCD 3537/4885
US-20080319003-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT H1-0, H1-2, H1-4 HCRTR1 50/4885HCRTR2 260/4885SCD 4725/4885

“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.