SCHEMBL15745702

SCHEMBL15745702

FC(F)(F)c1ccc(N2C[C@H]3CC[C@@H](C2)[C@@H]3Oc2cc(C(F)(F)F)nn2CC2OCCO2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.39
HCRTR2 O43614 5/20 0.39
ACACB O00763 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
CNR2 P34972 1/20 0.35
HSD11B1 P28845 1/20 0.35
TGFBR1 P36897 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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 0.84 HCRTR1 (0.42) HCRTR1HCRTR2ACACBKDM4EABL1
SCHEMBL12371110 0.84 HCRTR1 (0.42) HCRTR1HCRTR2ACACBKDM4EABL1
SCHEMBL15745707 0.83 HRH3 (0.40) KDM4EABL1LMNATMEM97SIGMAR1
SCHEMBL12371187 0.83 HCRTR1 (0.41) HCRTR1HCRTR2ACACBKDM4EABL1
SCHEMBL765911 0.73 HCRTR1 (0.45) HCRTR1HCRTR2ACACBKDM4EABL1
SCHEMBL13951427 0.72 HCRTR1 (0.48) HCRTR1HCRTR2ACACBKDM4EABL1
SCHEMBL760741 0.71 CHRM2 (0.37) KDM4EABL1LMNATMEM97SIGMAR1
SCHEMBL760739 0.71 CHRM2 (0.37) KDM4EABL1LMNATMEM97SIGMAR1
SCHEMBL760740 0.71 CHRM2 (0.37) KDM4EABL1LMNATMEM97SIGMAR1
SCHEMBL15745703 0.70 HRH3 (0.45) KDM4EABL1LMNAHPGDSMN1; SMN2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.