Sugi Predict

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SCHEMBL5200972

SCHEMBL5200972

Cc1c(Cl)cccc1C(=O)N(C1CCCC1)[C@H]1CCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ TAS1R2 Q8TE23 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ HSD11B1 P28845 8/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL5229719 0.91 HPGD (0.49) SLC6A2SLC6A4SLC6A3KCNH2HPGD
SCHEMBL5888082 0.90 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2HPGD
SCHEMBL5887877 0.90 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HPGD
SCHEMBL5224404 0.90 HPGD (0.51) SLC6A2SLC6A4SLC6A3KCNH2HPGD
SCHEMBL5200447 0.90 HPGD (0.51) SLC6A2SLC6A4SLC6A3KCNH2HPGD
SCHEMBL5264791 0.88 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KCNH2TAS1R3
SCHEMBL5887892 0.87 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3KCNH2HPGD
SCHEMBL5887717 0.86 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2HPGD
SCHEMBL5888146 0.85 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2HPGD
SCHEMBL5887983 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2TSHR

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 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.