SCHEMBL5478633

SCHEMBL5478633

CCCC(CCNC)Oc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.50
ADRA2B P18089 4/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 8/20 0.41
KMT2A Q03164 6/20 0.41
CYP2D6 P10635 6/20 0.41
CYP3A4 P08684 6/20 0.41
MEN1 O00255 5/20 0.41
LMNA P02545 5/20 0.41
SLC6A3 Q01959 5/20 0.41
CYP1A2 P05177 5/20 0.41
HTR2C P28335 4/20 0.41
TSHR P16473 4/20 0.41
CYP2C19 P33261 3/20 0.41
CHRM1 P11229 3/20 0.41
HTR2A P28223 3/20 0.41
HRH1 P35367 3/20 0.41
OPRM1 P35372 3/20 0.41
OPRK1 P41145 3/20 0.41

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
SCHEMBL5478630 1.00 SLC6A4 (0.50) SLC6A4ADRA2BADRA2AADRA2CSLC6A2
Hydrochloric Acid SCHEMBL5476841 0.99 SLC6A4 (0.49) SLC6A4ADRA2BADRA2AADRA2CSLC6A2
Hydrochloric Acid SCHEMBL5476840 0.99 SLC6A4 (0.49) SLC6A4ADRA2BADRA2AADRA2CSLC6A2
Hydrochloric Acid SCHEMBL5476834 0.99 SLC6A4 (0.49) SLC6A4ADRA2BADRA2AADRA2CSLC6A2
SCHEMBL5471070 0.87 SLC6A4 (0.46) SLC6A4ADRA2BADRA2ASLC6A2KMT2A
SCHEMBL5471075 0.87 SLC6A4 (0.46) SLC6A4ADRA2BADRA2ASLC6A2KMT2A
SCHEMBL5471072 0.87 SLC6A4 (0.46) SLC6A4ADRA2BADRA2ASLC6A2KMT2A
Hydrochloric Acid SCHEMBL5480418 0.86 SLC6A4 (0.46) SLC6A4ADRA2BADRA2ASLC6A2KMT2A
Hydrochloric Acid SCHEMBL5480419 0.86 SLC6A4 (0.46) SLC6A4ADRA2BADRA2ASLC6A2KMT2A
Hydrochloric Acid SCHEMBL5480421 0.86 SLC6A4 (0.46) SLC6A4ADRA2BADRA2ASLC6A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 US claimed
EP-1725518-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2006-11-29 EP claimed
WO-2005092835-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2005-10-06 WO claimed
US-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 US disclosed
EP-1725518-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2006-11-29 EP disclosed
WO-2005092835-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2005-10-06 WO 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 SLC6A4 15/4885ADRA2B 27/4885ADRA2A 40/4885

“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.