SCHEMBL382980

SCHEMBL382980

COCOc1cc(C(F)(F)F)ccc1OC1C2CCCC1CN(c1ccc(C(F)(F)F)cn1)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.46
HCRTR2 O43614 5/20 0.46
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
ACACB O00763 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 3/20 0.37
GPR119 Q8TDV5 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SMO Q99835 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
SCHEMBL10107157 1.00 HCRTR1 (0.46) HCRTR1HCRTR2KDM4EABL1LMNA
SCHEMBL16433615 0.94 HCRTR1 (0.44) HCRTR1HCRTR2KDM4EABL1LMNA
SCHEMBL10107166 0.90 HCRTR1 (0.53) HCRTR1HCRTR2KDM4EABL1LMNA
SCHEMBL14145917 0.90 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EABL1LMNA
SCHEMBL1066934 0.89 HCRTR1 (0.49) HCRTR1HCRTR2KDM4EABL1LMNA
SCHEMBL2301481 0.86 SMO (0.42) HCRTR1HCRTR2GPR119SMO
SCHEMBL12244267 0.86 SMO (0.42) HCRTR1HCRTR2GPR119SMO
SCHEMBL2301483 0.86 SMO (0.42) HCRTR1HCRTR2GPR119SMO
SCHEMBL12932352 0.86 HCRTR1 (0.55) HCRTR1HCRTR2KDM4EABL1LMNA
SCHEMBL385013 0.84 HCRTR1 (0.51) HCRTR1HCRTR2KDM4EABL1LMNA

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 202/4885KDM4E 373/4885
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT TAAR1, CBR3, CBR1 HCRTR1 13/4885HCRTR2 60/4885KDM4E 1169/4885
US-20080319003-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT H1-0, H1-2, H1-4 HCRTR1 50/4885HCRTR2 260/4885KDM4E 339/4885

“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.