SCHEMBL5446015

SCHEMBL5446015

C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)C[C@H](C)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
HSD11B1 P28845 1/20 0.52
EPHX2 P34913 4/20 0.51
MGLL Q99685 1/20 0.51
GHSR Q92847 1/20 0.49
LIPE Q05469 2/20 0.48
LSS P48449 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNA4 P43681 2/20 0.47
ENPP2 Q13822 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
SCN9A Q15858 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL5446019 1.00 HRH3 (0.53) HRH3HSD11B1EPHX2MGLLGHSR
SCHEMBL4223538 0.80 HRH3 (0.57) HRH3EPHX2LIPE
SCHEMBL4227342 0.80 HRH3 (0.57) HRH3EPHX2LIPE
SCHEMBL6283642 0.80 GHSR (0.55) HRH3HSD11B1EPHX2MGLLGHSR
SCHEMBL4635422 0.79 HSD11B1 (0.53) HRH3HSD11B1EPHX2MGLLGHSR
SCHEMBL5450590 0.78 HRH3 (0.60) HRH3HSD11B1EPHX2MGLLLSS
SCHEMBL34475493 0.78 LIPE (0.56) HRH3HSD11B1EPHX2MGLLLIPE
SCHEMBL17277278 0.77 ALDH1A1 (0.56) HSD11B1MGLLMEN1KMT2A
SCHEMBL12237821 0.77 ALDH1A1 (0.56) HSD11B1MGLLMEN1KMT2A
SCHEMBL3398408 0.77 ABL1 (0.53) MAPK7

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-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-22 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-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARD, PPARG, PPARA HRH3 4207/4885HSD11B1 658/4885EPHX2 3918/4885

“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.