SCHEMBL4634827

SCHEMBL4634827

CCCCN(C(=O)c1cccc2ccccc12)[C@H]1CCN(C(=O)C(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.43
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
CCR5 P51681 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39
PDK2 Q15119 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
SCHEMBL6415646 0.89 ALDH1A1 (0.40) C5AR1UBE2MDCUN1D1ALDH1A1LMNA
SCHEMBL6418906 0.83 SLC6A4 (0.53) UBE2MDCUN1D1
SCHEMBL6418641 0.82 GPR119 (0.46) C5AR1
SCHEMBL6418644 0.76 TRPM8 (0.42) C5AR1UBE2MDCUN1D1CCR5SIGMAR1
SCHEMBL4634472 0.74 SLC6A4 (0.61)
Hydrochloric Acid SCHEMBL4666549 0.74 SLC6A4 (0.60)
SCHEMBL10724404 0.69 TRPM8 (0.55) C5AR1LMNA
SCHEMBL13597150 0.69 FNTA (0.55) FNTAFNTBCCR5ALDH1A1LMNA
SCHEMBL6418851 0.69 LMNA (0.48) UBE2MDCUN1D1ALDH1A1LMNAPTBP1
SCHEMBL6431531 0.68 SLC6A4 (0.58)

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 9 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
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 C5AR1 291/4885UBE2M 752/4885DCUN1D1 3867/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C C5AR1 96/4885UBE2M 864/4885DCUN1D1 3017/4885

“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.