SCHEMBL384945

SCHEMBL384945

CC/C=C/c1cc(C(F)(F)F)ccc1OC1CC2CCC(C1)N2c1ccc(C(F)(F)F)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
ABL1 P00519 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
SCD O00767 3/20 0.33
HCRTR2 O43614 2/20 0.33
DGAT1 O75907 2/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL384946 1.00 SMN1; SMN2 (0.35) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL10107203 1.00 SMN1; SMN2 (0.35) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL12932383 1.00 SMN1; SMN2 (0.35) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL16433623 0.94 SMN1; SMN2 (0.35) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL382941 0.85 KDM4E (0.39) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL10107196 0.85 KDM4E (0.39) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL12962013 0.83 CXCR3 (0.38) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL10107118 0.82 HCRTR2 (0.39) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL13799809 0.82 HCRTR2 (0.39) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL383378 0.82 HCRTR2 (0.39) SMN1; SMN2HPGDKDM4ELMNAABL1

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 SMN1; SMN2 2535/4885HPGD 3647/4885KDM4E 373/4885
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT TAAR1, CBR3, CBR1 SMN1; SMN2 2914/4885HPGD 3821/4885KDM4E 1169/4885
US-20080319003-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT H1-0, H1-2, H1-4 SMN1; SMN2 2482/4885HPGD 3749/4885KDM4E 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.