SCHEMBL12371187

SCHEMBL12371187

COC(Cn1nc(C(F)(F)F)cc1O[C@@H]1[C@@H]2CC[C@H]1CN(c1ccc(C(F)(F)F)cn1)C2)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.41
HCRTR2 O43614 5/20 0.41
ACACB O00763 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.35
HSD11B1 P28845 1/20 0.35
CXCR3 P49682 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL12371131 0.85 HCRTR1 (0.42) HCRTR1HCRTR2ACACBGPR119HRH3
SCHEMBL12371110 0.85 HCRTR1 (0.42) HCRTR1HCRTR2ACACBGPR119HRH3
SCHEMBL15745704 0.84 HRH3 (0.40) HCRTR1HCRTR2GPR119HRH3HPGD
SCHEMBL15745700 0.84 HRH3 (0.40) HCRTR1HCRTR2GPR119HRH3HPGD
SCHEMBL12371186 0.84 HCRTR1 (0.41) HCRTR1HCRTR2ACACBGPR119HRH3
SCHEMBL15745702 0.83 HCRTR1 (0.39) HCRTR1HCRTR2ACACBGPR119HRH3
SCHEMBL14671633 0.74 HCRTR1 (0.42) HCRTR1HCRTR2ACACBGPR119HRH3
SCHEMBL12932352 0.73 HCRTR1 (0.55) HCRTR1HCRTR2ACACBGPR119HRH3
SCHEMBL765911 0.72 HCRTR1 (0.45) HCRTR1HCRTR2ACACBGPR119HRH3
SCHEMBL15745705 0.72 HRH3 (0.37) GPR119HRH3KDM4EABL1LMNA

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 7 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
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 HCRTR1 329/4885HCRTR2 860/4885ACACB 4664/4885
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 HCRTR1 151/4885HCRTR2 867/4885ACACB 2114/4885

“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.