SCHEMBL5887848

SCHEMBL5887848

CC(C)(C)C1[C@@H](N(C(=O)c2ccccc2C(F)(F)F)C2CCCC2)CCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.50
SLC6A4 P31645 7/20 0.50
SLC6A3 Q01959 4/20 0.40
CHRM4 P08173 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM5 P08912 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK14 Q16539 1/20 0.38
SLC6A1 P30531 3/20 0.38
SMO Q99835 1/20 0.36
SLC6A9 P48067 2/20 0.36

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
SCHEMBL5232639 0.99 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRM4CYP3A4
SCHEMBL5229719 0.86 HPGD (0.49) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C9
SCHEMBL5200447 0.85 HPGD (0.51) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C9
SCHEMBL5224404 0.85 HPGD (0.51) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C9
SCHEMBL5264791 0.84 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL5887717 0.84 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SLC6A9
SCHEMBL5887892 0.83 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL5888146 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3SLC6A9
SCHEMBL5200972 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL5888082 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3

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 49/4885SLC6A3 41/4885

“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.