SCHEMBL15745708

SCHEMBL15745708

CCCCn1nc(-c2cc(F)c(F)c(F)c2)cc1O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SCD O00767 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
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
SLC6A9 P48067 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMO Q99835 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 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
SCHEMBL15745697 0.86 SCD (0.40) DPP4DPP8DPP9DPP7SCD
SCHEMBL15745701 0.86 SCD (0.40) DPP4DPP8DPP9DPP7SCD
SCHEMBL760739 0.80 CHRM2 (0.37) DPP4DPP8DPP9DPP7SCD
SCHEMBL15745705 0.80 HRH3 (0.37) DPP4DPP8DPP9DPP7SCD
SCHEMBL760740 0.80 CHRM2 (0.37) DPP4DPP8DPP9DPP7SCD
SCHEMBL760741 0.80 CHRM2 (0.37) DPP4DPP8DPP9DPP7SCD
SCHEMBL15745706 0.74 SCD (0.39) DPP4DPP8DPP9DPP7SCD
SCHEMBL756547 0.74 HRH3 (0.44) HRH3HPGDSMN1; SMN2KDM4EABL1
SCHEMBL15745704 0.72 HRH3 (0.40) DPP4DPP8DPP9DPP7SCD
SCHEMBL15745700 0.72 HRH3 (0.40) DPP4DPP8DPP9DPP7SCD

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 DPP4 1471/4885DPP8 2110/4885DPP9 1880/4885

“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.