SCHEMBL4634174

SCHEMBL4634174

CC(C)CCNC(=O)C1CCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
EPHX2 P34913 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 1/20 0.43
HTR2C P28335 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL26716371 0.91 HSD17B10 (0.49) HSD17B10GNAI3GNAO1GNAI1EPHX2
SCHEMBL13746181 0.90 GNAI3 (0.58) HSD17B10GNAI3GNAO1GNAI1EPHX2
Hydrochloric Acid SCHEMBL21640745 0.86 HSD17B10 (0.53) HSD17B10GNAI3GNAO1GNAI1EPHX2
SCHEMBL21661360 0.81 CHRNB2 (0.60) HSD17B10GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL2149339 0.81 CHRNB2 (0.60) HSD17B10GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL7750667 0.81 HSD17B10 (0.66) HSD17B10EPHX2SMN1; SMN2GAARAB9A
SCHEMBL16364960 0.80 GNAI3 (0.49) GNAI3GNAO1GNAI1SMN1; SMN2HTR2C
SCHEMBL12574191 0.79 GNAI3 (0.51) GNAI3GNAO1GNAI1SMN1; SMN2HTR2C
SCHEMBL3935665 0.79 GNAI3 (0.51) GNAI3GNAO1GNAI1SMN1; SMN2HTR2C
SCHEMBL4635163 0.79 GNAI3 (0.69) GNAI3GNAO1GNAI1GAACHRNB2

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 HSD17B10 1430/4885GNAI3 1282/4885GNAO1 1172/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C HSD17B10 951/4885GNAI3 1455/4885GNAO1 1231/4885

“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.