SCHEMBL10107091

SCHEMBL10107091

COc1cc(C(F)(F)F)ccc1OC1CCN(c2ccc(C(F)(F)F)cn2)C(C)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.40
SGPL1 O95470 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CXCR3 P49682 3/20 0.38
EGFR P00533 1/20 0.37
PDE10A Q9Y233 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL12961937 0.91 KDM4E (0.40) SCDSGPL1KDM4EABL1LMNA
SCHEMBL385660 0.88 SGPL1 (0.39) SCDSGPL1HCRTR1HCRTR2KDM4E
SCHEMBL12961901 0.85 IKBKE (0.45) SCDSGPL1KDM4EABL1LMNA
SCHEMBL12962019 0.84 LIPG (0.50) SGPL1KDM4EABL1LMNACNR1
SCHEMBL13951318 0.84 CNR2 (0.38) SCDSGPL1KDM4EABL1LMNA
SCHEMBL16433606 0.82 CXCR3 (0.38) SGPL1HCRTR1HCRTR2KDM4EABL1
SCHEMBL12961963 0.82 CXCR3 (0.38) SCDSGPL1KDM4EABL1LMNA
SCHEMBL385891 0.80 HCRTR1 (0.41) SCDHCRTR1HCRTR2KDM4EABL1
SCHEMBL10107103 0.80 HCRTR1 (0.41) SCDHCRTR1HCRTR2KDM4EABL1
SCHEMBL12961962 0.80 CXCR3 (0.38) SCDKDM4EABL1LMNACNR1

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
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

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 SCD 4747/4885SGPL1 2351/4885HCRTR1 41/4885
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT TAAR1, CBR3, CBR1 SCD 3537/4885SGPL1 1760/4885HCRTR1 13/4885
US-20080319003-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT H1-0, H1-2, H1-4 SCD 4725/4885SGPL1 2416/4885HCRTR1 50/4885

“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.