SCHEMBL6449547

SCHEMBL6449547

NCCc1cc(F)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.63
HTR2A P28223 11/20 0.63
KCNH2 Q12809 7/20 0.63
SOS1 Q07889 1/20 0.54
HRH1 P35367 1/20 0.49
ADRA1A P35348 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CACNA1C Q13936 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A2 P23975 2/20 0.45

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
SCHEMBL6056360 0.81 SLC6A4 (0.75) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL18646614 0.79 HSPB1 (0.58) SLC6A4HTR2AKCNH2KDM4EMEN1
SCHEMBL5837192 0.78 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6056329 0.77 SLC6A4 (0.85) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL641262 0.76 MAPT (0.71) SLC6A4HTR2AKCNH2CACNA1CKDM4E
SCHEMBL44109 0.75 TAAR1 (0.68) SLC6A4ADRA1ATAAR1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL34462923 0.74 TAAR1 (0.66) SLC6A4ADRA1ATAAR1SLC6A2SLC6A3
SCHEMBL5836497 0.73 HTR2A (0.68) SLC6A4HTR2AKCNH2SOS1CYP2D6
SCHEMBL5837537 0.72 HTR2A (0.65) SLC6A4HTR2AKCNH2CACNA1CKDM4E
SCHEMBL441642 0.72 TAAR1 (0.54) HTR2ATAAR1KDM4EMEN1ALDH1A1

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-20050059654-A1 Method for treatment of depression and anxiety disorders by combination therapy ARNERIC STEPHEN P (US) 2005-03-17 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-20050059654-A1 Method for treatment of depression and anxiety disorders by combination therapy SLC6A2, SLC18A2, ADRA2C SLC6A4 4/4885HTR2A 16/4885KCNH2 3485/4885

“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.