SCHEMBL756547

SCHEMBL756547

CCCCn1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ABL1 P00519 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
RET P07949 1/20 0.39
SMO Q99835 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL15745703 0.94 HRH3 (0.45) HRH3SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL15745701 0.87 SCD (0.40) HRH3SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL15745697 0.87 SCD (0.40) HRH3SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL759929 0.87 SMN1; SMN2 (0.45) HRH3SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL12371131 0.85 HCRTR1 (0.42) HRH3SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL12371110 0.85 HCRTR1 (0.42) HRH3SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL761742 0.85 HRH3 (0.48) HRH3SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL12371149 0.82 KDM4E (0.43) HRH3SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL755927 0.81 KDM4E (0.43) HRH3SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL759359 0.81 HRH3 (0.48) HRH3SMN1; SMN2HPGDLMNAKDM4E

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-20140148477-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT AND METHOD FOR PREVENTING OR TREATING INFECTION IN ANIMALS CAUSED BY PARASITES BY USING THE CONTROLLING AGENT OTSUKA AGRITECHNO CO., LTD. (JP) 2014-05-29 US disclosed
US-20140148477-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT AND METHOD FOR PREVENTING OR TREATING INFECTION IN ANIMALS CAUSED BY PARASITES BY USING THE CONTROLLING AGENT OTSUKA AGRITECHNO CO., LTD. (JP) 2014-05-29 US disclosed
WO-2013015429-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT AND METHOD FOR PREVENTING OR TREATING INFECTION IN ANIMALS CAUSED BY PARASITES BY USING THE CONTROLLING AGENT OTSUKA AGRITECHNO CO., LTD. (JP) 2013-01-31 WO disclosed
EP-2050745-B1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA AGRITECHNO CO LTD (JP) 2012-03-21 EP disclosed
US-7994094-B2 N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA AGRITECHNO CO., LTD. (JP) 2011-08-09 US disclosed
US-7994094-B2 N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA AGRITECHNO CO., LTD. (JP) 2011-08-09 US disclosed
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed
EP-2050745-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT Otsuka Chemical Co., Ltd. (JP) 2009-04-22 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 (2 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-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT HRH4, NOX4, PRDX4 HRH3 6/4885SMN1; SMN2 2257/4885HPGD 2035/4885
US-20140148477-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT AND METHOD FOR PREVENTING OR TREATING INFECTION IN ANIMALS CAUSED BY PARASITES BY USING THE CONTROLLING AGENT PIR, ITPA, CAT HRH3 462/4885SMN1; SMN2 3808/4885HPGD 3038/4885

“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.