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SCHEMBL4634065

SCHEMBL4634065

CC(C)CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCN(C(=O)C(F)(F)F)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.58
▸ SLC6A2 P23975 6/20 0.58
▸ SLC6A3 Q01959 5/20 0.58
▸ KCNH2 Q12809 3/20 0.58
▸ MCHR1 Q99705 1/20 0.44
▸ KDM5A P29375 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ DRD4 P21917 3/20 0.39
▸ CCR1 P32246 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ F7 P08709 1/20 0.38

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
SCHEMBL6431527 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2MCHR1
SCHEMBL6431531 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2MCHR1
SCHEMBL6410766 0.92 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2MCHR1
SCHEMBL6418906 0.85 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNH2MCHR1
SCHEMBL6414218 0.85 CHRM2 (0.47) SLC6A4KCNH2DRD4
SCHEMBL4634335 0.74 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4634817 0.74 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL6416013 0.74 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4634775 0.73 SLC6A4 (0.98) SLC6A4SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL6413893 0.73 SLC6A4 (0.98) SLC6A4SLC6A2SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 — — US disclosed
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 — — US disclosed
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 — — US disclosed
EP-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 — — EP disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 — — US disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 — — US disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 — — US disclosed
US-20050137229-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 2005-06-23 — — 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 (2 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-20050137229-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 AOC3, ADRB3, HTR3C SLC6A4 193/4885SLC6A2 117/4885SLC6A3 115/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C SLC6A4 93/4885SLC6A2 51/4885SLC6A3 74/4885

“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.