SCHEMBL5887953

SCHEMBL5887953

O=C(O)N1CC[C@H](N(C(=O)c2ccccc2C(F)(F)F)C2CCCCCC2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.57
SLC6A4 P31645 7/20 0.57
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46
SLC6A3 Q01959 5/20 0.42
SMO Q99835 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
RBP4 P02753 3/20 0.42
MGLL Q99685 1/20 0.41
KCNH2 Q12809 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL5888070 1.00 SLC6A2 (0.57) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B
SCHEMBL5887727 0.99 SLC6A2 (0.58) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B
SCHEMBL5232636 0.85 USP30 (0.51) SLC6A2SLC6A4
SCHEMBL5887844 0.84 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL5887986 0.84 HPGD (0.54) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B
SCHEMBL5888222 0.84 HPGD (0.54) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B
SCHEMBL5888140 0.82 HPGD (0.52) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B
SCHEMBL4120924 0.82 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5887756 0.81 SLC6A2 (0.62) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B
SCHEMBL4522030 0.81 SLC6A2 (0.41) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122683-B2 Amides useful as monoamine re-uptake inhibitors PFIZER INC. (US) 2006-10-17 US disclosed
US-20060111429-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting PFIZER INC 2006-05-25 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-20060111429-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting ADRB3, AOC3, HRH4 SLC6A2 33/4885SLC6A4 49/4885CYP2C19 546/4885

“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.