SCHEMBL429518

SCHEMBL429518

CCCOc1cc(C(F)(F)F)ccc1SC1CC2CCC(C1)N2c1ccc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.38
HCRTR1 O43613 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
ABL1 P00519 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LIPE Q05469 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL10107240 1.00 HCRTR2 (0.38) HCRTR2HCRTR1SMN1; SMN2HPGDKDM4E
SCHEMBL429519 1.00 HCRTR2 (0.38) HCRTR2HCRTR1SMN1; SMN2HPGDKDM4E
SCHEMBL16433631 0.94 HCRTR2 (0.36) HCRTR2HCRTR1SMN1; SMN2HPGDKDM4E
SCHEMBL385424 0.86 HCRTR2 (0.38) HCRTR2HCRTR1SMN1; SMN2HPGDKDM4E
SCHEMBL384963 0.84 SMN1; SMN2 (0.45) HCRTR2HCRTR1SMN1; SMN2HPGDKDM4E
SCHEMBL383378 0.82 HCRTR2 (0.39) HCRTR2HCRTR1SMN1; SMN2HPGDKDM4E
SCHEMBL13799809 0.82 HCRTR2 (0.39) HCRTR2HCRTR1SMN1; SMN2HPGDKDM4E
SCHEMBL10107118 0.82 HCRTR2 (0.39) HCRTR2HCRTR1SMN1; SMN2HPGDKDM4E
SCHEMBL16433639 0.78 SMN1; SMN2 (0.45) HCRTR2HCRTR1SMN1; SMN2HPGDKDM4E
SCHEMBL16433610 0.76 HCRTR2 (0.37) HCRTR2HCRTR1SMN1; 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 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 HCRTR2 202/4885HCRTR1 41/4885SMN1; SMN2 2535/4885
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT TAAR1, CBR3, CBR1 HCRTR2 60/4885HCRTR1 13/4885SMN1; SMN2 2914/4885
US-20080319003-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT H1-0, H1-2, H1-4 HCRTR2 260/4885HCRTR1 50/4885SMN1; SMN2 2482/4885

“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.