SCHEMBL4634787

SCHEMBL4634787

CCC(CC)NC(=O)C1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
BRPF1 P55201 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
HTR2C P28335 1/20 0.37
ALOX15 P16050 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
TSHR P16473 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL25773264 0.90 SLC6A1 (0.49) ACACBALOX15CHRNB2CHRNB4CHRNA3
SCHEMBL4635160 0.85 ACACB (0.52) ACACBBRPF1GNAI3GNAO1GNAI1
SCHEMBL24063090 0.81 ACACB (0.41) ACACBBRPF1GNAI3GNAO1GNAI1
SCHEMBL16036865 0.80 CHRNB2 (0.56) ACACBBRPF1HTR2CALOX15CHRNB2
SCHEMBL12696525 0.80 CHRNB2 (0.56) ACACBBRPF1HTR2CALOX15CHRNB2
SCHEMBL8333126 0.79 GAA (0.45) ACACBSMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL2146404 0.79 CHRNB2 (0.54) ACACBBRPF1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL2146410 0.79 CHRNB2 (0.54) ACACBBRPF1GNAI3GNAO1GNAI1
SCHEMBL3935665 0.78 GNAI3 (0.51) ACACBGNAI3GNAO1GNAI1HTR2C
SCHEMBL12574191 0.78 GNAI3 (0.51) ACACBGNAI3GNAO1GNAI1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 EP claimed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US claimed
EP-1638933-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER INC. (US) 2006-03-29 EP claimed
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 claimed
WO-2004110995-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2004-12-23 WO claimed
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
EP-1638933-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER INC. (US) 2006-03-29 EP 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
WO-2004110995-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2004-12-23 WO 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 ACACB 2195/4885BRPF1 1565/4885GNAI3 1282/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C ACACB 4089/4885BRPF1 3298/4885GNAI3 1455/4885

“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.