SCHEMBL5486237

SCHEMBL5486237

CCC[C@@H](CCN(C)Cc1ccccc1)Oc1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
PPARG P37231 2/20 0.43
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
TSHR P16473 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
SCHEMBL5486241 1.00 ADRA2A (0.44) ADRA2AADRA2BADRA2CPPARGCARM1
SCHEMBL10989713 0.79 PPARG (0.42) ADRA2AADRA2BADRA2CPPARGCARM1
SCHEMBL4797438 0.75 HTR1D (0.40) CARM1PRMT6PRMT8ATMLMNA
SCHEMBL5478633 0.75 SLC6A4 (0.50) ADRA2AADRA2BADRA2CPPARGLMNA
SCHEMBL5478630 0.75 SLC6A4 (0.50) ADRA2AADRA2BADRA2CPPARGLMNA
Hydrochloric Acid SCHEMBL5476841 0.74 SLC6A4 (0.49) ADRA2AADRA2BADRA2CPPARGLMNA
Hydrochloric Acid SCHEMBL5476834 0.74 SLC6A4 (0.49) ADRA2AADRA2BADRA2CPPARGLMNA
Hydrochloric Acid SCHEMBL5476840 0.74 SLC6A4 (0.49) ADRA2AADRA2BADRA2CPPARGLMNA
SCHEMBL5474792 0.71 TMEM97 (0.45) ATMKDM4EALDH1A1SIGMAR1TMEM97
SCHEMBL5474795 0.71 TMEM97 (0.45) ATMKDM4EALDH1A1SIGMAR1TMEM97

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-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 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-20070072859-A1 Pharmaceutical compounds ADRB3, HTR3C, SLC6A2 ADRA2A 40/4885ADRA2B 27/4885ADRA2C 5/4885

“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.