SCHEMBL5229719

SCHEMBL5229719

CC(C)(C)C1[C@@H](N(C(=O)c2ccccc2Cl)C2CCCC2)CCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
KCNH2 Q12809 2/20 0.40
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.35
SLC6A1 P30531 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5224404 0.99 HPGD (0.51) HPGDTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5200447 0.99 HPGD (0.51) HPGDTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5888082 0.91 SLC6A2 (0.50) HPGDTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5200972 0.91 SLC6A2 (0.41) HPGDTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5887877 0.91 SLC6A2 (0.49) HPGDTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5887717 0.87 SLC6A2 (0.41) HPGDTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5887848 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3SLC6A9CYP3A4
SCHEMBL5888146 0.86 SLC6A2 (0.40) HPGDTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5232639 0.85 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL5887983 0.83 SLC6A2 (0.41) TSHRSLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817281-A1 N- [(3S)- PYRROLIDIN-3-YL]- BENZAMIDE DERIVATIVES AS MONOAMINE RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-08-15 EP disclosed
US-7122683-B2 Amides useful as monoamine re-uptake inhibitors PFIZER INC. (US) 2006-10-17 US disclosed
WO-2006056884-A1 N- [ (3S)- PYRROLIDIN-3-YL]- BENZAMIDE DERIVATIVES AS MONOAMINE RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-01 WO 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 HPGD 1601/4885TSHR 700/4885SLC6A2 33/4885

“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.