SCHEMBL6859247

SCHEMBL6859247

C[C@@H]1CN[C@@H](C)CN1c1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.42
HTR2C P28335 4/20 0.40
HTR2B P41595 3/20 0.40
DPP4 P27487 2/20 0.38
PREP P48147 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
HTR2A P28223 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
ELANE P08246 1/20 0.35
XIAP P98170 2/20 0.35
BIRC2 Q13490 2/20 0.35
PNMT P11086 1/20 0.34
AR P10275 4/20 0.34
CRHR1 P34998 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
SCHEMBL6859249 1.00 HSD11B1 (0.42) HSD11B1HTR2CHTR2BDPP4PREP
SCHEMBL6859245 1.00 HSD11B1 (0.42) HSD11B1HTR2CHTR2BDPP4PREP
SCHEMBL6860879 0.84 PARP1 (0.39) HTR2CHTR2BHTR2AXIAPBIRC2
SCHEMBL6860870 0.84 PARP1 (0.39) HTR2CHTR2BHTR2AXIAPBIRC2
SCHEMBL6860874 0.84 PARP1 (0.39) HTR2CHTR2BHTR2AXIAPBIRC2
SCHEMBL3222955 0.81 HTR2C (0.55) HSD11B1HTR2CDPP4PREPDPP8
SCHEMBL3559800 0.76 AR (0.51) AR
SCHEMBL4596837 0.76 AR (0.51) AR
SCHEMBL4595728 0.76 AR (0.51) AR
SCHEMBL405883 0.75 S1PR1 (0.46) HSD11B1DPP4AR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US claimed

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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 HSD11B1 236/4885HTR2C 1405/4885HTR2B 3051/4885

“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.